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ALA4791118 Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(ethylcarba
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Mol. Formula:
C27H45NO4
M.W.:
447.66
Type:
Unknown
AlogP:
6.26
Polar Surface Area:
75.63
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4756215 Name:
(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(hex
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Mol. Formula:
C43H65N3O5
M.W.:
704.01
Type:
Unknown
AlogP:
9.42
Polar Surface Area:
120.52
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4776886 Name:
(S)-4-(1H-indol-3-yl)-3-((R)-4-((3R,5R,8R,9S,10S,1
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Mol. Formula:
C40H59N3O5
M.W.:
661.93
Type:
Unknown
AlogP:
8.25
Polar Surface Area:
120.52
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4776034 Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethy
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Mol. Formula:
C33H57NO4
M.W.:
531.82
Type:
Unknown
AlogP:
8.60
Polar Surface Area:
75.63
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4796089 Name:
(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-(carbamoylo
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Mol. Formula:
C25H41NO4
M.W.:
419.61
Type:
Unknown
AlogP:
5.61
Polar Surface Area:
89.62
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4795158 Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(hexylcarba
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Mol. Formula:
C31H53NO4
M.W.:
503.77
Type:
Unknown
AlogP:
7.82
Polar Surface Area:
75.63
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4794685 Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethy
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Mol. Formula:
C31H45NO4
M.W.:
495.70
Type:
Unknown
AlogP:
7.76
Polar Surface Area:
75.63
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4783384 Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(cyclohexyl
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Mol. Formula:
C31H51NO4
M.W.:
501.75
Type:
Unknown
AlogP:
7.57
Polar Surface Area:
75.63
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4763613 Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(butylcarba
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Mol. Formula:
C29H49NO4
M.W.:
475.71
Type:
Unknown
AlogP:
7.04
Polar Surface Area:
75.63
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4762494 Name:
(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-10,13-
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Mol. Formula:
C45H69N3O5
M.W.:
732.06
Type:
Unknown
AlogP:
10.20
Polar Surface Area:
120.52
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4761852 Name:
(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(cyc
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Mol. Formula:
C43H63N3O5
M.W.:
701.99
Type:
Unknown
AlogP:
9.17
Polar Surface Area:
120.52
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4761556 Name:
(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(eth
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Mol. Formula:
C39H57N3O5
M.W.:
647.90
Type:
Unknown
AlogP:
7.86
Polar Surface Area:
120.52
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4780052 Name:
(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(but
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Mol. Formula:
C41H61N3O5
M.W.:
675.96
Type:
Unknown
AlogP:
8.64
Polar Surface Area:
120.52
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4092329 Name:
N-(3alpha-Hydroxy-5beta-cholan-24-oyl)-gamma-amino
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Mol. Formula:
C28H47NO4
M.W.:
461.69
Type:
Small molecule
AlogP:
5.40
Polar Surface Area:
86.63
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4090681 Name:
N-(3-Methoxyimino-5beta-cholan-24-oyl)-L-beta-homo
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Mol. Formula:
C37H53N3O4
M.W.:
603.85
Type:
Small molecule
AlogP:
7.75
Polar Surface Area:
103.78
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4089696 Name:
3(S)-[N-(3alpha-Hydroxy-5beta-cholan-24-oyl)amino]
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Mol. Formula:
C38H53NO4
M.W.:
587.85
Type:
Small molecule
AlogP:
7.78
Polar Surface Area:
86.63
HBA:
3
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4087107 Name:
N-(3alpha-Hydroxy-5beta-cholan-24-oyl)-L-beta-homo
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Mol. Formula:
C30H51NO4
M.W.:
489.74
Type:
Small molecule
AlogP:
6.04
Polar Surface Area:
86.63
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4750207 Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(isopropylc
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Mol. Formula:
C28H47NO4
M.W.:
461.69
Type:
Unknown
AlogP:
6.65
Polar Surface Area:
75.63
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4746495 Name:
(S)-3-((R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-(car
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Mol. Formula:
C37H53N3O5
M.W.:
619.85
Type:
Unknown
AlogP:
7.21
Polar Surface Area:
134.51
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4744026 Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(carbamoylo
Show More⌵
Mol. Formula:
C25H41NO4
M.W.:
419.61
Type:
Unknown
AlogP:
5.61
Polar Surface Area:
89.62
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
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