Compounds

ALA3350839

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

Mol. Formula:
C28H46O3

M.W.:
430.67

20 activity values

10 unique targets

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

ALA3350838

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

Mol. Formula:
C28H46O3

M.W.:
430.67

14 activity values

7 unique targets

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

ALA3350837

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

Mol. Formula:
C28H46O3

M.W.:
430.67

14 activity values

7 unique targets

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

ALA3350836

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

Mol. Formula:
C28H46O3

M.W.:
430.67

23 activity values

11 unique targets

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

ALA3350835

Name:
(1R,3S)-5-[2-[(3aS,7aR)-1-((R)-5-Hydroxy-1,5-dimethyl-hex-3-ynyl)-7a-methylShow More⌵

Mol. Formula:
C27H38O3

M.W.:
410.60

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3350825

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

Mol. Formula:
C28H46O3

M.W.:
430.67

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3350824

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

Mol. Formula:
C28H46O3

M.W.:
430.67

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3350823

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

Mol. Formula:
C28H46O3

M.W.:
430.67

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3350822

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

Mol. Formula:
C28H46O3

M.W.:
430.67

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3085006

Name:
(1R,3S)-5-[2-[9-(3-Hydroxy-3-methyl-butoxy)-spiro[5.5]undec-(2Z)-ylidene]-eShow More⌵

Mol. Formula:
C25H40O4

M.W.:
404.59

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
69.92

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3085005

Name:
(2R,4R)-5-[2-[9-(3-Hydroxy-3-methyl-butoxy)-spiro[5.5]undec-2-ylidene]-eth-Show More⌵

Mol. Formula:
C24H40O4

M.W.:
392.58

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
69.92

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3084964

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

Mol. Formula:
C27H46O3

M.W.:
418.66

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3084963

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

Mol. Formula:
C27H46O3

M.W.:
418.66

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3084962

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

Mol. Formula:
C27H46O4

M.W.:
434.66

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3084961

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

Mol. Formula:
C27H46O4

M.W.:
434.66

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3084960

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

Mol. Formula:
C27H46O4

M.W.:
434.66

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3084959

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

Mol. Formula:
C27H46O4

M.W.:
434.66

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3084958

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

Mol. Formula:
C27H46O3

M.W.:
418.66

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3084957

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

Mol. Formula:
C27H46O3

M.W.:
418.66

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3084861

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

Mol. Formula:
C28H48O3

M.W.:
432.69

Type:
Small molecule

AlogP:
6.17

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS