Compounds

Select all

ALA5196236
Name:
N-(3-amino-1,4-dioxo-2-naphthyl)-2-[4-(2-bromoethyl)triazol-1-yl]acetamide
Mol. Formula:
C16H14BrN5O3
M.W.:
404.22
1 activity values
1 unique targets
Type:
---
AlogP:
0.58
Polar Surface Area:
119.97
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5201349
Name:
N-(3-amino-1,4-dioxo-2-naphthyl)-2-[4-(cyclohexylmethyl)triazol-1-yl]acetamShow More⌵
Mol. Formula:
C21H23N5O3
M.W.:
393.45
1 activity values
1 unique targets
Type:
---
AlogP:
1.77
Polar Surface Area:
119.97
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4167964
Name:
Gordonic Acid
Mol. Formula:
C24H36O6
M.W.:
420.55
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
3.78
Polar Surface Area:
96.22
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA578144
Name:
8,8'-bis(aminomethylene)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimetShow More⌵
Mol. Formula:
C30H32N2O6
M.W.:
516.59
40 activity values
6 unique targets
Type:
Small molecule
AlogP:
5.00
Polar Surface Area:
167.10
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE