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ALA1098089 Name:
rac-Ethyl 5-Cyano-6-methyl-2-propyl-4-quinolin-4-y
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Mol. Formula:
C22H23N3O2
M.W.:
361.45
Type:
Small molecule
AlogP:
4.34
Polar Surface Area:
75.01
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA1097753 Name:
Methyl (4R)-5-Cyano-2,6-dimethyl-4-quinolin-4-yl-1
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Mol. Formula:
C19H17N3O2
M.W.:
319.36
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
75.01
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA1097752 Name:
Methyl (4S)-5-Cyano-2,6-dimethyl-4-quinolin-4-yl-1
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Mol. Formula:
C19H17N3O2
M.W.:
319.36
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
75.01
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA1097751 Name:
tert-Butyl (4R)-4-(2-Chloro-4-fluorophenyl)-5-cyan
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Mol. Formula:
C19H20ClFN2O2
M.W.:
362.83
Type:
Small molecule
AlogP:
4.58
Polar Surface Area:
62.12
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA1097750 Name:
tert-Butyl (4S)-4-(2-Chloro-4-fluorophenyl)-5-cyan
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Mol. Formula:
C19H20ClFN2O2
M.W.:
362.83
Type:
Small molecule
AlogP:
4.58
Polar Surface Area:
62.12
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA1094114 Name:
rac-tert-Butyl 4-(2-Chloro-4-fluorophenyl)-5-cyano
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Mol. Formula:
C19H20ClFN2O2
M.W.:
362.83
Type:
Small molecule
AlogP:
4.58
Polar Surface Area:
62.12
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA1094113 Name:
(-)-(S)-3-tert-butyl 5-methyl 2,6-dimethyl-4-(3-ni
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Mol. Formula:
C20H24N2O6
M.W.:
388.42
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
107.77
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA1099083 Name:
(+)-(R)-3-tert-butyl 5-methyl 2,6-dimethyl-4-(3-ni
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Mol. Formula:
C20H24N2O6
M.W.:
388.42
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
107.77
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA1095098 Name:
mebudipine
Cas Number:
103521-70-6
Mol. Formula:
C20H24N2O6
M.W.:
388.42
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
107.77
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.12
Polar Surface Area:
82.20
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA1094169 Name:
Methyl (4R)-(2-Chloro-4-fluorophenyl)-2-(chloromet
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Mol. Formula:
C16H13Cl2FN2O2
M.W.:
355.20
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
62.12
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1094798 Name:
Methyl (4R)-2-(Chloromethyl)-5-cyano-6-methyl-4-qu
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Mol. Formula:
C19H16ClN3O2
M.W.:
353.81
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
75.01
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1096306 Name:
Methyl (4S)-2-(Chloromethyl)-5-cyano-6-methyl-4-qu
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Mol. Formula:
C19H16ClN3O2
M.W.:
353.81
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
75.01
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1094797 Name:
(R)-Ethyl 5-Cyano-6-methyl-2-propyl-4-quinolin-4-y
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Mol. Formula:
C22H23N3O2
M.W.:
361.45
Type:
Small molecule
AlogP:
4.34
Polar Surface Area:
75.01
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4790021 Name:
Rac-methyl 2-(4-chlorophenyl)-2-[4-(methanesulfona
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Mol. Formula:
C19H19ClN2O4S
M.W.:
406.89
Type:
Unknown
AlogP:
3.60
Polar Surface Area:
77.40
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4756852 Name:
Rac-methyl 2-(2-chloro-4-fluorophenyl)-2-(4-fluoro
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Mol. Formula:
C17H12ClF2NO2
M.W.:
335.74
Type:
Unknown
AlogP:
4.34
Polar Surface Area:
31.23
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4777887 Name:
Rac-methyl 2-(2-chloro-4-fluorophenyl)-2-indol-1-y
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Mol. Formula:
C17H13ClFNO2
M.W.:
317.75
Type:
Unknown
AlogP:
4.20
Polar Surface Area:
31.23
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4777170 Name:
Rac-methyl 2-(4-chlorophenyl)-3-cyano-2-[4-(methan
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Mol. Formula:
C20H18ClN3O4S
M.W.:
431.90
Type:
Unknown
AlogP:
3.50
Polar Surface Area:
101.19
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4776613 Name:
(2R)-2-(4-chlorophenyl)-2-[4-(methanesulfonamido)i
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Mol. Formula:
C21H21ClF3N3O3S
M.W.:
487.93
Type:
Unknown
AlogP:
4.50
Polar Surface Area:
80.20
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4755269 Name:
Rac-methyl 2-(4-chlorophenyl)-2-[4-(methanesulfona
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Mol. Formula:
C25H23ClN2O4S
M.W.:
482.99
Type:
Unknown
AlogP:
4.83
Polar Surface Area:
77.40
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
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