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ALA4514735 Name:
NA
Mol. Formula:
C39H48N2O7
M.W.:
656.82
Type:
Unknown
AlogP:
6.49
Polar Surface Area:
113.79
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4513309 Name:
2-(((3,5-Dimethylisoxazol-4-yl)methyl)thio)-1-(4-(
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Mol. Formula:
C18H22FN3O2S
M.W.:
363.46
Type:
Unknown
AlogP:
3.01
Polar Surface Area:
49.58
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4539953 Name:
(S)-N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-pheny
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Mol. Formula:
C25H21ClFN3O2
M.W.:
449.91
Type:
Unknown
AlogP:
4.77
Polar Surface Area:
76.36
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4539707 Name:
6beta-imidazol-1yl-3,5-cycloandrostan-17-benzimida
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Mol. Formula:
C29H34N4
M.W.:
438.62
Type:
Unknown
AlogP:
6.58
Polar Surface Area:
35.64
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4521939 Name:
3beta-(methoxy)-17-(1H-benzimidazol-1-yl)androsta-
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Mol. Formula:
C27H34N2O
M.W.:
402.58
Type:
Unknown
AlogP:
6.46
Polar Surface Area:
27.05
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4521365 Name:
(S)-N-(3-chloro-4-cyanophenyl)-3-(5,6-difluoroindo
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Mol. Formula:
C19H16ClF2N3O2
M.W.:
391.81
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
76.36
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4520316 Name:
Androsta-3,5,16-triene-17-benzimidazol-1-yl
Mol. Formula:
C26H30N2
M.W.:
370.54
Type:
Unknown
AlogP:
6.62
Polar Surface Area:
17.82
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4532487 Name:
3beta-(1H-imidazole-1-thiocarboxylate)-17-(1H-benz
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Mol. Formula:
C30H34N4OS
M.W.:
498.70
Type:
Unknown
AlogP:
6.86
Polar Surface Area:
44.87
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4561103 Name:
2-(((3,5-Dimethylisoxazol-4-yl)methyl)thio)-1-(4-(
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Mol. Formula:
C20H27N3O2S
M.W.:
373.52
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
49.58
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4556937 Name:
cis-((1SR,2RS)-2-Phenylcyclopropyl)(4-(o-tolyl)pip
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Mol. Formula:
C21H24N2O
M.W.:
320.44
Type:
Unknown
AlogP:
3.45
Polar Surface Area:
23.55
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4556818 Name:
2-(4-(2-(((3,5-Dimethylisoxazol-4-yl)methyl)thio)a
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Mol. Formula:
C19H22N4O2S
M.W.:
370.48
Type:
Unknown
AlogP:
2.75
Polar Surface Area:
73.37
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4553882 Name:
(4-(5-Chloro-2-methylphenyl)piperazin-1-yl)((1S,2R
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Mol. Formula:
C21H22ClFN2O
M.W.:
372.87
Type:
Unknown
AlogP:
4.24
Polar Surface Area:
23.55
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4552506 Name:
Estra-1,3,5-(10),16-tetraen-17-(1H-benzimidazol-1-
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Mol. Formula:
C25H26N2O
M.W.:
370.50
Type:
Unknown
AlogP:
5.75
Polar Surface Area:
38.05
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4530573 Name:
(S)-3-(5-chloro-6-fluoroindolin-1-yl)-N-(4-cyano-3
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Mol. Formula:
C20H16ClF4N3O2
M.W.:
441.81
Type:
Unknown
AlogP:
4.12
Polar Surface Area:
76.36
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4528465 Name:
Estra-l,3,5-(10),16-tetraen-17-(1H-benzimidazol-1-
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Mol. Formula:
C27H28N2O2
M.W.:
412.53
Type:
Unknown
AlogP:
5.83
Polar Surface Area:
44.12
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4528089 Name:
2,3-dihydro-1H,1'H-2,3'-biindole
Cas Number:
6637-10-1
Mol. Formula:
C16H14N2
M.W.:
234.30
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
27.82
HBA:
1
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4527241 Name:
(S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoroindolin-
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Mol. Formula:
C19H17ClFN3O2
M.W.:
373.81
Type:
Unknown
AlogP:
3.10
Polar Surface Area:
76.36
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4527176 Name:
(S)-N-(3-chloro-4-cyanophenyl)-3-(6-fluoroindolin-
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Mol. Formula:
C19H17ClFN3O2
M.W.:
373.81
Type:
Unknown
AlogP:
3.10
Polar Surface Area:
76.36
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4526613 Name:
N-((((3,5-Dimethylisoxazol-4-yl)methyl)thio)methyl
Show More⌵
Mol. Formula:
C19H26N4O2S
M.W.:
374.51
Type:
Unknown
AlogP:
3.32
Polar Surface Area:
61.61
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4518104 Name:
(E)-3-Phenyl-1-(4-(o-tolyl)piperazin-1-yl)prop-2-e
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Mol. Formula:
C20H22N2O
M.W.:
306.41
Type:
Unknown
AlogP:
3.36
Polar Surface Area:
23.55
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
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