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ALA4781866 Name:
N-(4-methylpyridin-2-yl)-2-(naphthalen-2-yl)acetam
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Cas Number:
1088216-72-1
Mol. Formula:
C18H16N2O
M.W.:
276.34
Type:
Unknown
AlogP:
3.72
Polar Surface Area:
41.99
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA3727926 Name:
(Z)-N-(3-(diethylamino)propyl)-2,4-dimethyl-5-((2-
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Mol. Formula:
C32H36N6O2
M.W.:
536.68
Type:
Small molecule
AlogP:
5.44
Polar Surface Area:
95.05
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3729089 Name:
(S,Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazo
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Mol. Formula:
C30H32Cl2N6O2
M.W.:
579.53
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
103.84
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA3733062 Name:
(R,Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazo
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Mol. Formula:
C30H32Cl2N6O2
M.W.:
579.53
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
103.84
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA3732056 Name:
(Z)-N-((1H-benzo[d]imidazol-2-yl)methyl)-2,4-dimet
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Mol. Formula:
C33H27N7O2
M.W.:
553.63
Type:
Small molecule
AlogP:
5.78
Polar Surface Area:
120.49
HBA:
5
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3731094 Name:
(Z)-N-(2-(1H-imidazol-2-yl)ethyl)-2,4-dimethyl-5-(
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Mol. Formula:
C30H27N7O2
M.W.:
517.59
Type:
Small molecule
AlogP:
4.67
Polar Surface Area:
120.49
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA3728581 Name:
(Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazol-
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Mol. Formula:
C34H36N6O2
M.W.:
560.70
Type:
Small molecule
AlogP:
5.73
Polar Surface Area:
95.05
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA3730479 Name:
(Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazol-
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Mol. Formula:
C36H36Cl2N6O2
M.W.:
655.63
Type:
Small molecule
AlogP:
5.85
Polar Surface Area:
103.84
HBA:
5
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3732058 Name:
N-((cis)-3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dimeth
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Mol. Formula:
C30H30Cl2N6O2
M.W.:
577.52
Type:
Small molecule
AlogP:
3.92
Polar Surface Area:
103.84
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3732061 Name:
(Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazol-
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Mol. Formula:
C30H32Cl2N6O2
M.W.:
579.53
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
103.84
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3730037 Name:
(Z)-N-((1-aminocyclopentyl)methyl)-2,4-dimethyl-5-
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Mol. Formula:
C31H34Cl2N6O2
M.W.:
593.56
Type:
Small molecule
AlogP:
4.98
Polar Surface Area:
117.83
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3727571 Name:
(Z)-N-(2-(diethylamino)ethyl)-N,2,4-trimethyl-5-((
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Mol. Formula:
C32H36N6O2
M.W.:
536.68
Type:
Small molecule
AlogP:
5.39
Polar Surface Area:
86.26
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3731753 Name:
(Z)-N-(3-ethoxypropyl)-2,4-dimethyl-5-((2-oxo-5-(1
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Mol. Formula:
C30H31N5O3
M.W.:
509.61
Type:
Small molecule
AlogP:
5.13
Polar Surface Area:
101.04
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA3733119 Name:
(R,Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazo
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Mol. Formula:
C30H32Cl2N6O2
M.W.:
579.53
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
103.84
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3729168 Name:
(S,Z)-2,4-dimethyl-5-((2-oxo-5-(1-phenyl-1H-pyrazo
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Mol. Formula:
C30H32Cl2N6O2
M.W.:
579.53
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
103.84
HBA:
5
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3732483 Name:
(Z)-N-(2-(diethylamino)ethyl)-2,4-dimethyl-5-((2-o
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Mol. Formula:
C30H33N7O2
M.W.:
523.64
Type:
Small molecule
AlogP:
4.44
Polar Surface Area:
107.94
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3728260 Name:
(Z)-N-(2-(diethylamino)ethyl)-2,4-dimethyl-5-((2-o
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Mol. Formula:
C31H35N7O4S
M.W.:
601.73
Type:
Small molecule
AlogP:
3.70
Polar Surface Area:
155.21
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3732717 Name:
(Z)-N-(2-(diethylamino)ethyl)-2,4-dimethyl-5-((2-o
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Mol. Formula:
C28H31N7O2S
M.W.:
529.67
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
107.94
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3730786 Name:
(Z)-N-(2-(diethylamino)ethyl)-2,4-dimethyl-5-((2-o
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Mol. Formula:
C28H31N7O2S
M.W.:
529.67
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
107.94
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3730417 Name:
(Z)-5-((5-(1-(2-chlorophenyl)-1H-pyrazol-4-yl)-2-o
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Mol. Formula:
C31H33ClN6O2
M.W.:
557.10
Type:
Small molecule
AlogP:
5.70
Polar Surface Area:
95.05
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
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