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Library name

Active against Any

G+ve bacteria

S. aureus

G-ve bacteria Any

E. coli
K. pneumoniae
P. aeruginosa
P. aeruginosa 5x ∆(mex)
A. baumannii

Fungi Any

C. albicans
C. neoformans

No Toxicity for Any

Cytotoxicity HEK 293
Haemolysis hRBC

Screening Type

Chemical Properties

Molecular Weight (MW) [Da]

Between 50 and 1650

LogD

Between -9.8 and 10.2

No. rotatable bonds

Between 0 and 34

Topological Polar Surface Area (tPSA) [Ų]

Between 0 and 710

Rule of 5 (Lipinski)

Between 0 and 5

Rule of 3 (Congreve)

Between 0 and 4

Druglikeness (QED)

Between 0 and 1
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CO-ADD:0285964TCV-0116NCPRI (Romania)
S. aureus: Not active
E. coli: Not active
K. pneumoniae: Not active
P. aeruginosa: Not active
P. aeruginosa 5d(mex): Not tested
A. baumannii: Not active
C. albicans: Not active
C. neoformans: Not active
Cytotoxicity HEK 293: Not tested
Haemolysis hRBC: Not tested

 

MW [Da]: 317.34
LogD: -0.2
No. rot. Bonds: 4
tPSA [Å2]: 108.4
Rule of 5: 4
Rule of 3: 2
QED: 0.7
CO-ADD:0285965TCV-0216NCPRI (Romania)
S. aureus: Not active
E. coli: Not active
K. pneumoniae: Not active
P. aeruginosa: Not active
P. aeruginosa 5d(mex): Not tested
A. baumannii: Not active
C. albicans: Not active
C. neoformans: Not active
Cytotoxicity HEK 293: Not tested
Haemolysis hRBC: Not tested

 

MW [Da]: 315.32
LogD: -0.2
No. rot. Bonds: 4
tPSA [Å2]: 108.4
Rule of 5: 4
Rule of 3: 2
QED: 0.54
CO-ADD:0285966TCV-0316NCPRI (Romania)
S. aureus: Not active
E. coli: Not active
K. pneumoniae: Not active
P. aeruginosa: Not active
P. aeruginosa 5d(mex): Not tested
A. baumannii: Not active
C. albicans: Not active
C. neoformans: Not active
Cytotoxicity HEK 293: Not tested
Haemolysis hRBC: Not tested

 

MW [Da]: 330.25
LogD: -1.2
No. rot. Bonds: 5
tPSA [Å2]: 154.2
Rule of 5: 4
Rule of 3: 2
QED: 0.52
CO-ADD:0285967TCV-0416NCPRI (Romania)
S. aureus: Not active
E. coli: Not active
K. pneumoniae: Not active
P. aeruginosa: Not active
P. aeruginosa 5d(mex): Not tested
A. baumannii: Not active
C. albicans: Not active
C. neoformans: Not active
Cytotoxicity HEK 293: Not tested
Haemolysis hRBC: Not tested

 

MW [Da]: 330.25
LogD: -1.2
No. rot. Bonds: 5
tPSA [Å2]: 154.2
Rule of 5: 4
Rule of 3: 2
QED: 0.52
CO-ADD:0285968TCV-0516NCPRI (Romania)
S. aureus: Not active
E. coli: Not active
K. pneumoniae: Not active
P. aeruginosa: Not active
P. aeruginosa 5d(mex): Not tested
A. baumannii: Not active
C. albicans: Not active
C. neoformans: Not active
Cytotoxicity HEK 293: Not tested
Haemolysis hRBC: Not tested

 

MW [Da]: 307.73
LogD: 0.2
No. rot. Bonds: 3
tPSA [Å2]: 80.6
Rule of 5: 4
Rule of 3: 2
QED: 0.37
CO-ADD:0285969TCV-0616NCPRI (Romania)
S. aureus: Not active
E. coli: Not active
K. pneumoniae: Not active
P. aeruginosa: Not active
P. aeruginosa 5d(mex): Not tested
A. baumannii: Not active
C. albicans: Not active
C. neoformans: Not active
Cytotoxicity HEK 293: Not tested
Haemolysis hRBC: Not tested

 

MW [Da]: 307.73
LogD: 0.2
No. rot. Bonds: 3
tPSA [Å2]: 80.6
Rule of 5: 4
Rule of 3: 2
QED: 0.37
CO-ADD:0285970TCV-0716NCPRI (Romania)
S. aureus: Not active
E. coli: Not active
K. pneumoniae: Not active
P. aeruginosa: Not active
P. aeruginosa 5d(mex): Not tested
A. baumannii: Not active
C. albicans: Not active
C. neoformans: Not active
Cytotoxicity HEK 293: Not tested
Haemolysis hRBC: Not tested

 

MW [Da]: 454.03
LogD: 3.8
No. rot. Bonds: 9
tPSA [Å2]: 89.9
Rule of 5: 4
Rule of 3: 1
QED: 0.2
CO-ADD:0285971TCV-0816NCPRI (Romania)
S. aureus: Not active
E. coli: Not active
K. pneumoniae: Not active
P. aeruginosa: Not active
P. aeruginosa 5d(mex): Not tested
A. baumannii: Not active
C. albicans: Not active
C. neoformans: Not active
Cytotoxicity HEK 293: Not tested
Haemolysis hRBC: Not tested

 

MW [Da]: 287.36
LogD: 1.1
No. rot. Bonds: 4
tPSA [Å2]: 74.6
Rule of 5: 4
Rule of 3: 3
QED: 0.64
CO-ADD:0285972TCV-0916NCPRI (Romania)
S. aureus: Not active
E. coli: Not active
K. pneumoniae: Not active
P. aeruginosa: Not active
P. aeruginosa 5d(mex): Not tested
A. baumannii: Not active
C. albicans: Not active
C. neoformans: Not active
Cytotoxicity HEK 293: Not tested
Haemolysis hRBC: Not tested

 

MW [Da]: 495.57
LogD: 3
No. rot. Bonds: 14
tPSA [Å2]: 127.2
Rule of 5: 4
Rule of 3: 1
QED: 0.18