Compounds

ALA4796089

Name:
(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-(carbamoyloxy)-10,13-dimethylhexadecShow More⌵

Mol. Formula:
C25H41NO4

M.W.:
419.61

1 activity values

1 unique targets

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

ALA4795158

Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(hexylcarbamoyloxy)-10,13-dimethylheShow More⌵

Mol. Formula:
C31H53NO4

M.W.:
503.77

1 activity values

1 unique targets

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

ALA4794685

Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylcarbamoyloxy)hShow More⌵

Mol. Formula:
C31H45NO4

M.W.:
495.70

1 activity values

1 unique targets

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

ALA4791118

Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(ethylcarbamoyloxy)-10,13-dimethylheShow More⌵

Mol. Formula:
C27H45NO4

M.W.:
447.66

1 activity values

1 unique targets

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

ALA4783384

Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(cyclohexylcarbamoyloxy)-10,13-dimetShow More⌵

Mol. Formula:
C31H51NO4

M.W.:
501.75

1 activity values

1 unique targets

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

ALA4780052

Name:
(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(butylcarbamoyloxy)-10,13-dimShow More⌵

Mol. Formula:
C41H61N3O5

M.W.:
675.96

4 activity values

3 unique targets

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

ALA4776886

Name:
(S)-4-(1H-indol-3-yl)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(isopropylcShow More⌵

Mol. Formula:
C40H59N3O5

M.W.:
661.93

1 activity values

1 unique targets

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

ALA4776034

Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(octylcarbamoyloxy)heShow More⌵

Mol. Formula:
C33H57NO4

M.W.:
531.82

1 activity values

1 unique targets

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

ALA4763613

Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(butylcarbamoyloxy)-10,13-dimethylheShow More⌵

Mol. Formula:
C29H49NO4

M.W.:
475.71

1 activity values

1 unique targets

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

ALA4762494

Name:
(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(octylcarbamoyShow More⌵

Mol. Formula:
C45H69N3O5

M.W.:
732.06

1 activity values

1 unique targets

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

ALA4761852

Name:
(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(cyclohexylcarbamoyloxy)-10,1Show More⌵

Mol. Formula:
C43H63N3O5

M.W.:
701.99

4 activity values

3 unique targets

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

ALA4761556

Name:
(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(ethylcarbamoyloxy)-10,13-dimShow More⌵

Mol. Formula:
C39H57N3O5

M.W.:
647.90

23 activity values

17 unique targets

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

ALA4756215

Name:
(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(hexylcarbamoyloxy)-10,13-dimShow More⌵

Mol. Formula:
C43H65N3O5

M.W.:
704.01

4 activity values

3 unique targets

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

ALA4750207

Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(isopropylcarbamoyloxy)-10,13-dimethShow More⌵

Mol. Formula:
C28H47NO4

M.W.:
461.69

1 activity values

1 unique targets

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

ALA4746495

Name:
(S)-3-((R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-(carbamoyloxy)-10,13-dimethylShow More⌵

Mol. Formula:
C37H53N3O5

M.W.:
619.85

1 activity values

1 unique targets

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

ALA4744026

Name:
(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(carbamoyloxy)-10,13-dimethylhexadecShow More⌵

Mol. Formula:
C25H41NO4

M.W.:
419.61

1 activity values

1 unique targets

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

ALA4742817

Name:
(S)-3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(phenylcarbamoShow More⌵

Mol. Formula:
C43H57N3O5

M.W.:
695.95

1 activity values

1 unique targets

Type:
Unknown

AlogP:
9.36

Polar Surface Area:
120.52

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4102540

Name:
N-(3alpha-Hydroxy-5beta-cholan-24-oyl)-delta-aminopentanoic acid

Mol. Formula:
C29H49NO4

M.W.:
475.71

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.79

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4099159

Name:
3(R)-[N-(3alpha-Hydroxy-5beta-cholan-24-oyl)amino]-3-phenylpropionic acid

Mol. Formula:
C33H49NO4

M.W.:
523.76

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.75

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4098329

Name:
N-(3alpha-Hydroxy-5beta-cholan-24-oyl)-D-beta-homo-tryptophan

Mol. Formula:
C36H52N2O4

M.W.:
576.82

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
7.11

Polar Surface Area:
102.42

HBA:
3

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS