Compounds

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ALA5191074
Name:
N-[2-[4-[(2-Acetamidophenoxy)methyl]triazol-1-yl]ethyl]-2-benzyl-3-(hydroxyShow More⌵
Mol. Formula:
C23H26N6O5
M.W.:
466.50
12 activity values
5 unique targets
Type:
---
AlogP:
1.30
Polar Surface Area:
147.47
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5187038
Name:
N-[2-[4-[(2-Acetamidophenoxy)methyl]triazol-1-yl]ethyl]-2-(hydroxycarbamoylShow More⌵
Mol. Formula:
C20H28N6O5
M.W.:
432.48
27 activity values
13 unique targets
Type:
---
AlogP:
1.10
Polar Surface Area:
147.47
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5186191
Name:
S-(2-((4-acetylphenyl)amino)-2-oxoethyl) carbamothioate
Mol. Formula:
C11H12N2O3S
M.W.:
252.29
2 activity values
2 unique targets
Type:
---
AlogP:
1.64
Polar Surface Area:
89.26
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5184569
Name:
N-((5H-dibenzo[a,d][7]annulen-5-yl)methyl)-N-(((4-fluorophenyl)sulfonyl)carShow More⌵
Mol. Formula:
C25H21FN2O5S
M.W.:
480.52
3 activity values
3 unique targets
Type:
---
AlogP:
3.93
Polar Surface Area:
103.78
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5179045
Name:
(2-((4-acetylphenyl)amino)-2-oxoethyl)phosphonate disodium
Mol. Formula:
C10H10NNa2O5P
M.W.:
301.15
1 activity values
1 unique targets
Type:
---
AlogP:
1.01
Polar Surface Area:
103.70
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4640494
Name:
N-(4-acetylphenyl)-2-mercaptoacetamide
Mol. Formula:
C10H11NO2S
M.W.:
209.27
9 activity values
6 unique targets
Type:
Unknown
AlogP:
1.76
Polar Surface Area:
46.17
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.59
DETAILS
CLOSE