Compounds

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ALA229118
Name:
3,3-dimethyldesmethyldiazepam
Mol. Formula:
C17H15ClN2O
M.W.:
298.77
4 activity values
3 unique targets
Type:
Small molecule
AlogP:
3.91
Polar Surface Area:
41.46
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
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ALA387720
Name:
3,3-dimethyldiazepam
Mol. Formula:
C18H17ClN2O
M.W.:
312.80
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
32.67
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
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ALA432294
Name:
2-{2-[6-({[3-(4-tert-Butyl-benzyloxy)-thiophene-2-carbonyl]-amino}-methyl)-Show More⌵
Mol. Formula:
C29H38N2O11S
M.W.:
622.69
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
1.03
Polar Surface Area:
211.95
HBA:
10
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
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ALA288811
Name:
2-[2-(3,4,5-Trihydroxy-6-{[2-(1-phenyl-ethylcarbamoyl)-benzoylamino]-methylShow More⌵
Mol. Formula:
C29H35N3O11
M.W.:
601.61
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
-0.42
Polar Surface Area:
231.82
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.15
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ALA287905
Name:
2-[2-(6-{[2-(2,4-Dichloro-phenylcarbamoyl)-acetylamino]-methyl}-3,4,5-trihyShow More⌵
Mol. Formula:
C22H27Cl2N3O11
M.W.:
580.37
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
-0.89
Polar Surface Area:
231.82
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA288292
Name:
2-{2-[3,4,5-Trihydroxy-6-({[3-(4-methyl-benzyloxy)-thiophene-2-carbonyl]-amShow More⌵
Mol. Formula:
C26H32N2O11S
M.W.:
580.61
1 activity values
1 unique targets
Type:
Small molecule
AlogP:
0.04
Polar Surface Area:
211.95
HBA:
10
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE