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ALA4476280 Name:
N-(3-(1H-imidazol-1-yl)propyl)-2-(4-oxo-1-phenyl-1
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Cas Number:
941957-96-6
Mol. Formula:
C21H21N7O2S
M.W.:
435.51
Type:
Unknown
AlogP:
2.02
Polar Surface Area:
99.63
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4475593 Name:
1-(4-(5-((2-Chlorophenyl)thio)-4,6-dioxo-2-(thioph
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Mol. Formula:
C27H24ClN3O2S2
M.W.:
522.10
Type:
Unknown
AlogP:
6.47
Polar Surface Area:
76.36
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4475383 Name:
7-methoxy-5-oxo-N-(3,4,5-trimethoxybenzyl)-1,2,3,5
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Cas Number:
2034513-90-9
Mol. Formula:
C20H24N2O6
M.W.:
388.42
Type:
Unknown
AlogP:
1.76
Polar Surface Area:
88.02
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4536094 Name:
3-((2-Chlorophenyl)thio)-6-(4-(1,1-dioxidothiomorp
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Mol. Formula:
C25H23ClN2O4S3
M.W.:
547.12
Type:
Unknown
AlogP:
4.96
Polar Surface Area:
86.71
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4522422 Name:
3-(2-chlorophenylthio)-6-(2-fluorophenyl)-4-hydrox
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Mol. Formula:
C21H15ClFNO2S2
M.W.:
431.94
Type:
Unknown
AlogP:
5.87
Polar Surface Area:
49.33
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4521960 Name:
3-(2-chlorophenylthio)-4-hydroxy-6-(4-hydroxypheny
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Mol. Formula:
C21H16ClNO3S2
M.W.:
429.95
Type:
Unknown
AlogP:
5.43
Polar Surface Area:
69.56
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4520899 Name:
rac-3-(2-chlorophenylthio)-4-hydroxy-6-(4-(piperid
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Mol. Formula:
C26H25ClN2O2S2
M.W.:
497.09
Type:
Unknown
AlogP:
6.72
Polar Surface Area:
52.57
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4534918 Name:
3-((2-Chlorophenyl)thio)-6-(4-(2,6-dimethylmorphol
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Mol. Formula:
C27H27ClN2O3S2
M.W.:
527.11
Type:
Unknown
AlogP:
6.34
Polar Surface Area:
61.80
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4557701 Name:
6-(4-(2-Oxa-7-azaspiro[3.5]nonan-7-yl)phenyl)-3-((
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Mol. Formula:
C28H27ClN2O3S2
M.W.:
539.12
Type:
Unknown
AlogP:
6.34
Polar Surface Area:
61.80
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4556577 Name:
2-(3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-ylthi
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Mol. Formula:
C30H27N3O3S
M.W.:
509.63
Type:
Unknown
AlogP:
6.60
Polar Surface Area:
84.24
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4556559 Name:
1-(4-(3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-
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Cas Number:
920389-31-7
Mol. Formula:
C24H31N7O
M.W.:
433.56
Type:
Unknown
AlogP:
3.28
Polar Surface Area:
80.04
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4555982 Name:
rac-3-(2-chlorophenylthio)-6-(3-(4-fluorophenoxy)p
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Mol. Formula:
C27H19ClFNO3S2
M.W.:
524.04
Type:
Unknown
AlogP:
7.66
Polar Surface Area:
58.56
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4529408 Name:
4-(5-(2-chlorophenylthio)-4-hydroxy-6-oxo-2-(thiop
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Mol. Formula:
C22H15ClN2O2S2
M.W.:
438.96
Type:
Unknown
AlogP:
5.60
Polar Surface Area:
73.12
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4515658 Name:
N-((1-(2-methylpyridin-4-yl)piperidin-4-yl)methyl)
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Cas Number:
2034259-81-7
Mol. Formula:
C21H24N4O2S
M.W.:
396.52
Type:
Unknown
AlogP:
3.13
Polar Surface Area:
75.19
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4515017 Name:
3-(2-(3-(1-cyclopropyl-6-methyl-2-oxo-1,2-dihydrop
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Mol. Formula:
C20H24N4O4
M.W.:
384.44
Type:
Unknown
AlogP:
0.95
Polar Surface Area:
86.43
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4745224 Name:
3-(2-(4-(4-fluorobenzoyl)piperazin-1-yl)ethoxy)-2-
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Mol. Formula:
C19H21FN2O4
M.W.:
360.38
Type:
Unknown
AlogP:
1.92
Polar Surface Area:
62.99
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4745150 Name:
2-(3-(3-((5-Cyclobutylthiophen-2-yl)ethynyl)phenyl
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Mol. Formula:
C35H31FN4O4S3
M.W.:
686.86
Type:
Unknown
AlogP:
7.14
Polar Surface Area:
128.17
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4745101 Name:
2-methyl-3-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-y
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Mol. Formula:
C17H19N3O4
M.W.:
329.36
Type:
Unknown
AlogP:
1.07
Polar Surface Area:
75.88
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4744743 Name:
2-methyl-3-(2-(4-(2-nitrobenzoyl)piperazin-1-yl)et
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Mol. Formula:
C19H21N3O6
M.W.:
387.39
Type:
Unknown
AlogP:
1.69
Polar Surface Area:
106.13
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4744588 Name:
2-(5-(2-Cyclopropylethyl)-4-(3-fluoro-4-sulfamoylb
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Mol. Formula:
C32H26F2N4O4S3
M.W.:
664.78
Type:
Unknown
AlogP:
6.32
Polar Surface Area:
128.17
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
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