Compounds

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ALA3727689
Name:
Trans-5-chloro-N-[4-(3,3-dimethyl-2-oxo-2,3-dihydro-indol-1-ylmethyl)-cycloShow More⌵
Mol. Formula:
C24H28ClN3O2
M.W.:
425.96
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.66
Polar Surface Area:
62.30
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
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ALA3681395
Name:
US8835444, 5.27
Mol. Formula:
C21H25ClF3N3O
M.W.:
427.90
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.41
Polar Surface Area:
46.92
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
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ALA3681383
Name:
US8835444, 3.6
Mol. Formula:
C23H26ClN5O
M.W.:
423.95
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.60
Polar Surface Area:
72.70
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
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ALA3681382
Name:
US8835444, 3.3
Mol. Formula:
C24H26ClFN4O
M.W.:
440.95
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
5.34
Polar Surface Area:
59.81
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
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ALA3681374
Name:
US8835444, 1.8
Mol. Formula:
C26H27Cl2F3N4O2
M.W.:
555.43
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
7.12
Polar Surface Area:
79.04
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
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ALA3681372
Name:
US8835444, 1.1
Mol. Formula:
C20H28ClN5O
M.W.:
389.93
2 activity values
2 unique targets
Type:
Small molecule
AlogP:
4.04
Polar Surface Area:
82.70
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE