Screening Data

Reset

Project

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 55

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
ui-button
ui-button
CO-ADD:0088824MMV003069TomatidineMMV (CH) - Pandemic Response Box

 

MW [Da]: 415.65
LogD: 3.4
No. rot. Bonds: 0
tPSA [Å2]: 41.5
Rule of 5: 4
Rule of 3: 2
QED: 0.61
CO-ADD:0088823MMV1782209MMV (CH) - Pandemic Response Box

 

MW [Da]: 490.59
LogD: 4.6
No. rot. Bonds: 9
tPSA [Å2]: 77.1
Rule of 5: 4
Rule of 3: 1
QED: 0.35
CO-ADD:0088822MMV1580483AZD-0156MMV (CH) - Pandemic Response Box

 

MW [Da]: 461.56
LogD: 2.2
No. rot. Bonds: 7
tPSA [Å2]: 71
Rule of 5: 4
Rule of 3: 2
QED: 0.5
CO-ADD:0088821MMV002350LomefloxacinMMV (CH) - Pandemic Response Box

 

MW [Da]: 351.35
LogD: -0.2
No. rot. Bonds: 3
tPSA [Å2]: 72.9
Rule of 5: 4
Rule of 3: 2
QED: 0.69
CO-ADD:0088820MMV1634361CispentacinMMV (CH) - Pandemic Response Box

 

MW [Da]: 129.16
LogD: -2.4
No. rot. Bonds: 1
tPSA [Å2]: 63.3
Rule of 5: 4
Rule of 3: 4
QED: 0.41
CO-ADD:0088819MMV1613559CilastatinMMV (CH) - Pandemic Response Box

 

MW [Da]: 358.45
LogD: -2.8
No. rot. Bonds: 11
tPSA [Å2]: 155
Rule of 5: 4
Rule of 3: 1
QED: 0.26
CO-ADD:0088818MMV690555MMV (CH) - Pandemic Response Box

 

MW [Da]: 373.21
LogD: 3.3
No. rot. Bonds: 3
tPSA [Å2]: 69.1
Rule of 5: 4
Rule of 3: 2
QED: 0.52
CO-ADD:0088817MMV1580843MMV (CH) - Pandemic Response Box

 

MW [Da]: 430.45
LogD: 7
No. rot. Bonds: 4
tPSA [Å2]: 21.1
Rule of 5: 3
Rule of 3: 2
QED: 0.41
CO-ADD:0088816MMV1613563IclaprimMMV (CH) - Pandemic Response Box

 

MW [Da]: 354.4
LogD: 2.6
No. rot. Bonds: 5
tPSA [Å2]: 105.5
Rule of 5: 4
Rule of 3: 2
QED: 0.85