Compounds

Select all

ALA4102524
Name:
(4-{[[(2-{4-[(octylamino)carbonyl]phenyl}-1,3-thiazol-4-yl)methyl](3-phenylShow More⌵
Mol. Formula:
C37H43N3O5S
M.W.:
641.83
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
7.53
Polar Surface Area:
108.83
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4091549
Name:
4-cyano-N-(4-{[(2Z)-2-(5-iodo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinShow More⌵
Mol. Formula:
C23H14IN5O3
M.W.:
535.30
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
3.50
Polar Surface Area:
123.45
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4067333
Name:
5-((4-dec-1-ynylbenzyl){(2E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl}aminShow More⌵
Mol. Formula:
C34H34F3NO4
M.W.:
577.64
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
8.46
Polar Surface Area:
77.84
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4063743
Name:
(4E)-4-[(5-bromo-2-furyl)methylene]-1-(4-iodophenyl)pyrazolidine-3,5-dione
Mol. Formula:
C14H8BrIN2O3
M.W.:
459.04
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
3.11
Polar Surface Area:
62.55
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE