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ALA5278089 Name:
Mol. Formula:
C21H18N2O4S
M.W.:
394.45
Type:
---
AlogP:
2.51
Polar Surface Area:
81.42
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5273769 Name:
Mol. Formula:
C42H34N4O8S2
M.W.:
786.89
Type:
---
AlogP:
5.55
Polar Surface Area:
162.84
HBA:
14
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
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ALA4464508 Name:
11-[2-(Dimethylamino)ethyl]-3-methoxybenzothiopyra
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Mol. Formula:
C20H20N2O2S
M.W.:
352.46
Type:
Unknown
AlogP:
3.94
Polar Surface Area:
34.47
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
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ALA4251423 Name:
2-(3-Chloroanilino)-5H-benzothiopyrano[4,3-d]pyrim
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Mol. Formula:
C17H12ClN3S
M.W.:
325.82
Type:
Small molecule
AlogP:
5.15
Polar Surface Area:
37.81
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4250974 Name:
2-(3-Trifluoromethylanilino)-5H-benzothiopyrano[4,
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Mol. Formula:
C18H12F3N3S
M.W.:
359.38
Type:
Small molecule
AlogP:
5.51
Polar Surface Area:
37.81
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
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ALA4248513 Name:
8-Chloro-2-(3,4-dimethoxyanilino)-5H-benzothiopyra
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Mol. Formula:
C19H16ClN3O2S
M.W.:
385.88
Type:
Small molecule
AlogP:
5.16
Polar Surface Area:
56.27
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4248398 Name:
8-Methoxy-2-(3-bromoanilino)-5H-benzothiopyrano[4,
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Mol. Formula:
C18H14BrN3OS
M.W.:
400.30
Type:
Small molecule
AlogP:
5.26
Polar Surface Area:
47.04
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4248316 Name:
8-Methoxy-2-(3,4,5-trimethoxyanilino)-5H-benzothio
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Mol. Formula:
C21H21N3O4S
M.W.:
411.48
Type:
Small molecule
AlogP:
4.53
Polar Surface Area:
74.73
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
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ALA4247940 Name:
8-Chloro-2-(3-methoxyanilino)-5H-benzothiopyrano[4
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Mol. Formula:
C18H14ClN3OS
M.W.:
355.85
Type:
Small molecule
AlogP:
5.15
Polar Surface Area:
47.04
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4247697 Name:
8-Chloro-2-(3-chloroanilino)-5H-benzothiopyrano[4,
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Mol. Formula:
C17H11Cl2N3S
M.W.:
360.27
Type:
Small molecule
AlogP:
5.80
Polar Surface Area:
37.81
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4247130 Name:
2-(3-Bromoanilino)-5H-benzothiopyrano[4,3-d]pyrimi
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Mol. Formula:
C17H12BrN3S
M.W.:
370.27
Type:
Small molecule
AlogP:
5.26
Polar Surface Area:
37.81
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4244593 Name:
8-Methoxy-2-(3-methoxyanilino)-5H-benzothiopyrano[
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Mol. Formula:
C19H17N3O2S
M.W.:
351.43
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
56.27
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4244146 Name:
8-Methoxy-2-(3-fluoroanilino)-5H-benzothiopyrano[4
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Mol. Formula:
C18H14FN3OS
M.W.:
339.40
Type:
Small molecule
AlogP:
4.64
Polar Surface Area:
47.04
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4243998 Name:
8-Chloro-2-(3-trifluoromethylanilino)-5H-benzothio
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Mol. Formula:
C18H11ClF3N3S
M.W.:
393.82
Type:
Small molecule
AlogP:
6.17
Polar Surface Area:
37.81
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4243901 Name:
8-Chloro-2-(3-fluoroanilino)-5H-benzothiopyrano[4,
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Mol. Formula:
C17H11ClFN3S
M.W.:
343.81
Type:
Small molecule
AlogP:
5.29
Polar Surface Area:
37.81
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4240958 Name:
2-(3-Methoxyanilino)-5H-benzothiopyrano[4,3-d]pyri
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Mol. Formula:
C18H15N3OS
M.W.:
321.41
Type:
Small molecule
AlogP:
4.50
Polar Surface Area:
47.04
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4240857 Name:
2-(3-Fluoroanilino)-5H-benzothiopyrano[4,3-d]pyrim
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Mol. Formula:
C17H12FN3S
M.W.:
309.37
Type:
Small molecule
AlogP:
4.63
Polar Surface Area:
37.81
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4240389 Name:
8-Methoxy-2-(3-chloroanilino)-5H-benzothiopyrano[4
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Mol. Formula:
C18H14ClN3OS
M.W.:
355.85
Type:
Small molecule
AlogP:
5.15
Polar Surface Area:
47.04
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4239941 Name:
8-Chloro-2-(3-bromoanilino)-5H-benzothiopyrano[4,3
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Mol. Formula:
C17H11BrClN3S
M.W.:
404.72
Type:
Small molecule
AlogP:
5.91
Polar Surface Area:
37.81
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4238493 Name:
8-Chloro-2-(3,4,5-trimethoxyanilino)-5H-benzothiop
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Mol. Formula:
C20H18ClN3O3S
M.W.:
415.90
Type:
Small molecule
AlogP:
5.17
Polar Surface Area:
65.50
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
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