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ALA1080794 Name:
4-butyl-3-(cyclohexylmethyl)-8-(1-(2,6-dimethylben
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Mol. Formula:
C32H49N3O3
M.W.:
523.76
Type:
Small molecule
AlogP:
6.33
Polar Surface Area:
53.09
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1078335 Name:
(5S)-5-butyl-9-(1-(2,4-dimethylnicotinoyl)-4-methy
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Mol. Formula:
C32H50N4O4
M.W.:
554.78
Type:
Small molecule
AlogP:
5.36
Polar Surface Area:
75.21
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA1078714 Name:
(5S)-5-butyl-3-((4,4-difluorocyclohexyl)methyl)-9-
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Mol. Formula:
C32H49F2N5O3
M.W.:
589.77
Type:
Small molecule
AlogP:
6.01
Polar Surface Area:
78.87
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA1078713 Name:
(S)-5-butyl-9-(1-(4,6-dimethyl-2-(trifluoromethyl)
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Mol. Formula:
C32H48F3N5O4
M.W.:
623.76
Type:
Small molecule
AlogP:
5.63
Polar Surface Area:
88.10
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA1078712 Name:
(S)-5-butyl-9-(1-(4,6-dimethyl-2-oxo-2H-pyran-5-ca
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Mol. Formula:
C32H49N3O6
M.W.:
571.76
Type:
Small molecule
AlogP:
4.77
Polar Surface Area:
92.53
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA1078937 Name:
(S)-5-(4-(5-butyl-3-methyl-2-oxo-1-oxa-3,9-diazasp
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Mol. Formula:
C28H41N5O3
M.W.:
495.67
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
89.77
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA1078711 Name:
(+/-)-5-(4-(5-butyl-2-oxo-3-((tetrahydro-2H-pyran-
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Mol. Formula:
C33H49N5O4
M.W.:
579.79
Type:
Small molecule
AlogP:
5.08
Polar Surface Area:
99.00
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA1078710 Name:
(S)-3-(4-(5-butyl-2-oxo-3-((tetrahydro-2H-pyran-4-
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Mol. Formula:
C32H50N4O5
M.W.:
570.78
Type:
Small molecule
AlogP:
4.45
Polar Surface Area:
89.26
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA1078936 Name:
(S)-5-butyl-9-(1-(2,4-dimethylnicotinoyl)-4-methyl
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Mol. Formula:
C32H50N4O4
M.W.:
554.78
Type:
Small molecule
AlogP:
5.21
Polar Surface Area:
75.21
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA1078141 Name:
(R)-5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbony
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Mol. Formula:
C31H49N5O4
M.W.:
555.76
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
88.10
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA1078723 Name:
5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4
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Mol. Formula:
C31H49N5O4
M.W.:
555.76
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
88.10
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA1078015 Name:
5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)pi
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Mol. Formula:
C30H47N5O4
M.W.:
541.74
Type:
Small molecule
AlogP:
4.22
Polar Surface Area:
88.10
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA1078014 Name:
5-butyl-9-(1-(2,6-dimethylbenzoyl)piperidin-4-yl)-
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Mol. Formula:
C32H49N3O4
M.W.:
539.76
Type:
Small molecule
AlogP:
5.43
Polar Surface Area:
62.32
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA1078013 Name:
5-butyl-3-(cyclohexylmethyl)-9-(1-(4,6-dimethylpyr
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Mol. Formula:
C31H49N5O3
M.W.:
539.77
Type:
Small molecule
AlogP:
5.37
Polar Surface Area:
78.87
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA1078753 Name:
5-butyl-3-(cyclohexylmethyl)-9-(1-(2,6-dimethylben
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Mol. Formula:
C33H51N3O3
M.W.:
537.79
Type:
Small molecule
AlogP:
6.58
Polar Surface Area:
53.09
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA1078659 Name:
4-butyl-8-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4
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Mol. Formula:
C30H47N5O4
M.W.:
541.74
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
88.10
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA1077912 Name:
4-butyl-3-(cyclohexylmethyl)-8-(1-(4,6-dimethylpyr
Show More⌵
Mol. Formula:
C31H49N5O3
M.W.:
539.77
Type:
Small molecule
AlogP:
5.51
Polar Surface Area:
78.87
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA1077779 Name:
4-butyl-3-(cyclohexylmethyl)-8-(1-(2,6-dimethylben
Show More⌵
Mol. Formula:
C33H51N3O3
M.W.:
537.79
Type:
Small molecule
AlogP:
6.72
Polar Surface Area:
53.09
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA1078648 Name:
3-(cyclohexylmethyl)-8-(1-(2,6-dimethylbenzoyl)pip
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Mol. Formula:
C31H47N3O3
M.W.:
509.74
Type:
Small molecule
AlogP:
5.94
Polar Surface Area:
53.09
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA1078647 Name:
3-benzyl-4-butyl-8-(1-(2,6-dimethylbenzoyl)piperid
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Mol. Formula:
C32H43N3O3
M.W.:
517.71
Type:
Small molecule
AlogP:
5.95
Polar Surface Area:
53.09
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
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