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ALA1956445 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Cas Number:
301355-04-4
Mol. Formula:
C17H16N2O2S
M.W.:
312.39
Type:
Small molecule
AlogP:
3.52
Polar Surface Area:
62.12
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA1956444 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Mol. Formula:
C19H18N2OS
M.W.:
322.43
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
52.89
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA1956443 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Mol. Formula:
C20H20N2OS
M.W.:
336.46
Type:
Small molecule
AlogP:
4.24
Polar Surface Area:
52.89
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA1956442 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Mol. Formula:
C19H17N3OS
M.W.:
335.43
Type:
Small molecule
AlogP:
4.16
Polar Surface Area:
68.68
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA1956441 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Mol. Formula:
C19H18N2O2S
M.W.:
338.43
Type:
Small molecule
AlogP:
3.83
Polar Surface Area:
62.12
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.92
DETAILS
CLOSE
ALA1956440 Name:
2-(benzo[b]thiophen-2-yl)-N-(3-cyano-4,5,6,7-tetra
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Mol. Formula:
C19H16N2OS2
M.W.:
352.48
Type:
Small molecule
AlogP:
4.89
Polar Surface Area:
52.89
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA1956439 Name:
3-(4-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydrobe
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Mol. Formula:
C18H17ClN2OS
M.W.:
344.87
Type:
Small molecule
AlogP:
4.72
Polar Surface Area:
52.89
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA1956438 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Cas Number:
438473-43-9
Mol. Formula:
C19H20N2O2S
M.W.:
340.45
Type:
Small molecule
AlogP:
4.08
Polar Surface Area:
62.12
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA1956437 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Mol. Formula:
C19H20N2O2S
M.W.:
340.45
Type:
Small molecule
AlogP:
4.08
Polar Surface Area:
62.12
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA1956436 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Mol. Formula:
C19H20N2OS
M.W.:
324.45
Type:
Small molecule
AlogP:
4.38
Polar Surface Area:
52.89
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA1956435 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Mol. Formula:
C19H20N2OS
M.W.:
324.45
Type:
Small molecule
AlogP:
4.38
Polar Surface Area:
52.89
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA1956434 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Mol. Formula:
C19H20N2OS
M.W.:
324.45
Type:
Small molecule
AlogP:
4.38
Polar Surface Area:
52.89
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA1956433 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Cas Number:
321945-24-8
Mol. Formula:
C18H18N2OS
M.W.:
310.42
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
52.89
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
ALA1956432 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Mol. Formula:
C15H18N2OS
M.W.:
274.39
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
52.89
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA1956431 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Mol. Formula:
C14H16N2OS
M.W.:
260.36
Type:
Small molecule
AlogP:
3.24
Polar Surface Area:
52.89
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA1956430 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Cas Number:
355000-40-7
Mol. Formula:
C13H14N2OS
M.W.:
246.34
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
52.89
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.87
DETAILS
CLOSE
ALA1956429 Name:
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl
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Mol. Formula:
C14H18N2OS
M.W.:
262.38
Type:
Small molecule
AlogP:
3.48
Polar Surface Area:
52.89
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
52.89
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.86
DETAILS
CLOSE
ALA1956427 Name:
(5-tert-butyl-3-isopropyl-3',4'-dimethylbiphenyl-2
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Mol. Formula:
C22H30O
M.W.:
310.48
Type:
Small molecule
AlogP:
5.88
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA1956426 Name:
(5-tert-butyl-3'-chloro-3-isopropylbiphenyl-2-yl)m
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Mol. Formula:
C20H25ClO
M.W.:
316.87
Type:
Small molecule
AlogP:
5.92
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
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