Compounds

Type:
Small molecule

AlogP:
6.90

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3351070

Name:
5-{2-[1-(2-Ethyl-7-hydroxy-1,7-dimethyl-oct-3-enyl)-7a-methyl-octahydro-indShow More⌵

Mol. Formula:
C31H50O3

M.W.:
470.74

4 activity values

Type:
Small molecule

AlogP:
6.90

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3351011

Name:
(1R,2R,3R)-5-[2-[1-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-iShow More⌵

Mol. Formula:
C28H46O3

M.W.:
430.67

21 activity values

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3351010

Name:
(1S,2R,3R)-5-[2-[1-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-iShow More⌵

Mol. Formula:
C28H46O3

M.W.:
430.67

7 activity values

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3351008

Name:
(1S,2S,3R)-5-[2-[1-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-iShow More⌵

Mol. Formula:
C28H46O3

M.W.:
430.67

21 activity values

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3351007

Name:
(1S,2S,3S)-5-[2-[1-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-iShow More⌵

Mol. Formula:
C28H46O3

M.W.:
430.67

22 activity values

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3351006

Name:
(1S,2R,3S)-5-[2-[1-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-iShow More⌵

Mol. Formula:
C28H46O3

M.W.:
430.67

7 activity values

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3351005

Name:
(1R,2S,3R)-5-[2-[1-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-iShow More⌵

Mol. Formula:
C28H46O3

M.W.:
430.67

21 activity values

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3350861

Name:
(1S,2R,3S,5Z)-5-{2-[(4E)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-oShow More⌵

Mol. Formula:
C28H46O3

M.W.:
430.67

14 activity values

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3350860

Name:
(1S,2R,3R,5Z)-5-{2-[(4E)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-oShow More⌵

Mol. Formula:
C28H46O3

M.W.:
430.67

15 activity values

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3350833

Name:
(1R,2S,3S)-5-[2-[(1R,7aR)-1-((S)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-ocShow More⌵

Mol. Formula:
C29H48O4

M.W.:
460.70

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3350832

Name:
(1R,2S,3S)-2-(4-Hydroxy-butyl)-5-[2-[(1R,7aR)-1-((S)-5-hydroxy-1,5-dimethylShow More⌵

Mol. Formula:
C31H52O4

M.W.:
488.75

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3350831

Name:
(1R,2S,3S)-2-Butyl-5-[2-[(1R,7aR)-1-((R)-5-hydroxy-1,5-dimethyl-hexyl)-7a-mShow More⌵

Mol. Formula:
C31H52O3

M.W.:
472.75

Type:
Small molecule

AlogP:
7.12

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3350830

Name:
(1R,2S,3S)-2-Ethyl-5-[2-[(1R,7aR)-1-((S)-5-hydroxy-1,5-dimethyl-hexyl)-7a-mShow More⌵

Mol. Formula:
C29H48O3

M.W.:
444.70

Type:
Small molecule

AlogP:
6.34

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3350829

Name:
(1R,2S,3S)-5-[2-[(1R,7aR)-1-((S)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-ocShow More⌵

Mol. Formula:
C28H46O4

M.W.:
446.67

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3350828

Name:
(1R,2S,3S)-2-(4-Hydroxy-butyl)-5-[2-[(1R,7aR)-1-((R)-5-hydroxy-1,5-dimethylShow More⌵

Mol. Formula:
C31H52O4

M.W.:
488.75

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3350827

Name:
(1R,2S,3S)-5-[2-[(1R,7aR)-1-((S)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-ocShow More⌵

Mol. Formula:
C28H46O3

M.W.:
430.67

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3350826

Name:
(1R,2S,3S)-2-Butyl-5-[2-[(1R,7aR)-1-((S)-5-hydroxy-1,5-dimethyl-hexyl)-7a-mShow More⌵

Mol. Formula:
C31H52O3

M.W.:
472.75

Type:
Small molecule

AlogP:
7.12

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3350700

Name:
(1R,2S,3S)-2-Ethyl-5-[2-[1-((R)-5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octShow More⌵

Mol. Formula:
C29H48O3

M.W.:
444.70

6 activity values

Type:
Small molecule

AlogP:
6.34

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3350699

Name:
(1R,2S,3S)-5-[2-[1-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-iShow More⌵

Mol. Formula:
C28H46O4

M.W.:
446.67

6 activity values