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ALA4548847 Name:
N-((3-(3-carbamothioylphenyl)-1-(tetrahydro-2H-pyr
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Mol. Formula:
C26H27N5O2S
M.W.:
473.60
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
97.96
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4548497 Name:
3-(1-(3,3-difluoropropyl)-6-fluoro-1H-indol-3-yl)b
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Mol. Formula:
C18H15F3N2S
M.W.:
348.39
Type:
Unknown
AlogP:
4.74
Polar Surface Area:
30.95
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4548179 Name:
(2-(1H-pyrrol-1-yl)pyridin-4-yl)methanamine
Mol. Formula:
C10H11N3
M.W.:
173.22
Type:
Unknown
AlogP:
1.33
Polar Surface Area:
43.84
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.74
DETAILS
CLOSE
ALA4548146 Name:
3-(6-(hydroxymethyl)-1-(4,4,4-trifluorobutyl)-1H-i
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Mol. Formula:
C20H19F3N2OS
M.W.:
392.45
Type:
Unknown
AlogP:
4.78
Polar Surface Area:
51.18
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4548031 Name:
3-(6-(hydroxymethyl)-1-((2,2,3,3-tetrafluorocyclop
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Mol. Formula:
C20H16F4N2OS
M.W.:
408.42
Type:
Unknown
AlogP:
4.34
Polar Surface Area:
51.18
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4548016 Name:
5-(4-hydroxy-2-methylphenyl)pyridine-3-carbothioam
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Mol. Formula:
C13H12N2OS
M.W.:
244.32
Type:
Unknown
AlogP:
2.40
Polar Surface Area:
59.14
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.80
DETAILS
CLOSE
ALA4547912 Name:
4'-hydroxy-2',6'-dimethylbiphenyl-3-carbothioamide
Mol. Formula:
C15H15NOS
M.W.:
257.36
Type:
Unknown
AlogP:
3.31
Polar Surface Area:
46.25
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4547128 Name:
3-(6-((methylamino)methyl)-1H-indol-3-yl)benzothio
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Mol. Formula:
C17H17N3S
M.W.:
295.41
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
53.84
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4546211 Name:
N-((3-(3-carbamothioylphenyl)-1-(1-(propylsulfonyl
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Mol. Formula:
C32H40N6O3S2
M.W.:
620.85
Type:
Unknown
AlogP:
4.78
Polar Surface Area:
115.25
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4546073 Name:
3-(6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-y
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Mol. Formula:
C18H19N3OS
M.W.:
325.44
Type:
Unknown
AlogP:
2.39
Polar Surface Area:
77.20
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4550414 Name:
N-(6-(2-(2-(4-(3-carbamothioylphenyl)-1H-indol-7-y
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Mol. Formula:
C46H42N4O9S
M.W.:
826.93
Type:
Unknown
AlogP:
6.95
Polar Surface Area:
194.46
HBA:
10
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4549932 Name:
3-(5-fluoro-1-(1-(methylsulfonyl)piperidin-4-yl)-1
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Mol. Formula:
C21H22FN3O2S2
M.W.:
431.56
Type:
Unknown
AlogP:
3.68
Polar Surface Area:
68.33
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4549825 Name:
1-(3,3-difluoropropyl)-6-(hydroxymethyl)-1H,1'H-3,
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Mol. Formula:
C21H19F2N3OS
M.W.:
399.47
Type:
Unknown
AlogP:
4.57
Polar Surface Area:
66.97
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4549587 Name:
3-(6-amino-1-(cyclopentylmethyl)-1H-indol-3-yl)ben
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Mol. Formula:
C21H23N3S
M.W.:
349.50
Type:
Unknown
AlogP:
4.71
Polar Surface Area:
56.97
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4549445 Name:
1-(3-(1H-indol-4-yl)phenyl)ethanamine
Mol. Formula:
C16H16N2
M.W.:
236.32
Type:
Unknown
AlogP:
3.85
Polar Surface Area:
41.81
HBA:
1
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4549252 Name:
3-(6-amino-1-(4,4,4-trifluorobutyl)-1H-indol-3-yl)
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Mol. Formula:
C19H17F4N3S
M.W.:
395.43
Type:
Unknown
AlogP:
5.01
Polar Surface Area:
56.97
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4548999 Name:
3-(1-(3,3-difluoropropyl)-6-(1,2-dihydroxyethyl)-1
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Mol. Formula:
C20H20F2N2O2S
M.W.:
390.46
Type:
Unknown
AlogP:
3.62
Polar Surface Area:
71.41
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4548941 Name:
5-fluoro-4'-hydroxybiphenyl-3-carbothioamide
Mol. Formula:
C13H10FNOS
M.W.:
247.29
Type:
Unknown
AlogP:
2.83
Polar Surface Area:
46.25
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.80
DETAILS
CLOSE
ALA4524885 Name:
3-(5-(hydroxymethyl)-3-(piperidin-1-yl)-1H-indol-1
Show More⌵
Mol. Formula:
C21H23N3OS
M.W.:
365.50
Type:
Unknown
AlogP:
3.75
Polar Surface Area:
54.42
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4524641 Name:
3-(5-hydroxy-1H-indol-3-yl)benzothioamide
Mol. Formula:
C15H12N2OS
M.W.:
268.34
Type:
Unknown
AlogP:
3.17
Polar Surface Area:
62.04
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
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