Compounds

Type:
Unknown

AlogP:
6.82

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4876965

Name:
(R)-6-((1R,3aS,7aR,E)-4-(2-(2H-tetrazol-2-yl)ethylidene)-7a-methyloctahydroShow More⌵

Mol. Formula:
C21H36N4O

M.W.:
360.55

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
63.83

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4876668

Name:
(R)-3,3-difluoro-6-((1R,3aS,7aR,E)-4-(2-(5-(4-fluorophenyl)-2H-tetrazol-2-yShow More⌵

Mol. Formula:
C27H37F3N4O

M.W.:
490.61

8 activity values

4 unique targets

Type:
Unknown

AlogP:
6.44

Polar Surface Area:
63.83

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4876206

Name:
(R)-2-methyl-6-((1R,3aS,7aR,E)-7a-methyl-4-(2-(5-phenyl-2H-tetrazol-2-yl)etShow More⌵

Mol. Formula:
C27H40N4O

M.W.:
436.64

Type:
Unknown

AlogP:
6.06

Polar Surface Area:
63.83

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4875263

Name:
2-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyldihydShow More⌵

Mol. Formula:
C28H39NO3

M.W.:
437.62

Type:
Unknown

AlogP:
6.00

Polar Surface Area:
57.61

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4873292

Name:
(R)-6-((1R,3aS,7aR,E)-4-(2-(decylamino)ethylidene)-7a-methyloctahydro-1H-inShow More⌵

Mol. Formula:
C30H57NO

M.W.:
447.79

Type:
Unknown

AlogP:
8.44

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4872670

Name:
(R)-2-methyl-6-((1R,3aS,7aR,E)-7a-methyl-4-(2-(5-phenyl-1H-tetrazol-1-yl)etShow More⌵

Mol. Formula:
C27H40N4O

M.W.:
436.64

Type:
Unknown

AlogP:
6.06

Polar Surface Area:
63.83

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4872175

Name:
(R)-6-((1R,3aS,7aR,E)-4-(2-(1H-tetrazol-1-yl)ethylidene)-7a-methyloctahydroShow More⌵

Mol. Formula:
C21H36N4O

M.W.:
360.55

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
63.83

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4870471

Name:
(E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyldihydro-Show More⌵

Mol. Formula:
C25H43NO2

M.W.:
389.62

Type:
Unknown

AlogP:
5.72

Polar Surface Area:
40.54

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4870443

Name:
(R)-2-methyl-6-((1R,3aS,7aR,E)-7a-methyl-4-(prop-2-ynylidene)octahydro-1H-iShow More⌵

Mol. Formula:
C21H34O

M.W.:
302.50

Type:
Unknown

AlogP:
5.34

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4867154

Name:
(R)-1,1,1-trifluoro-6-((1R,3aS,7aR,E)-4-(2-(4-(4-fluorophenyl)-1H-1,2,3-triShow More⌵

Mol. Formula:
C28H34F7N3O

M.W.:
561.59

5 activity values

3 unique targets

Type:
Unknown

AlogP:
7.89

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4866625

Name:
(E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyldihydro-Show More⌵

Mol. Formula:
C24H41NO3

M.W.:
391.60

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4864271

Name:
(R)-2-methyl-6-((1R,3aS,7aR)-7a-methyl-4-methyleneoctahydro-1H-inden-1-yl)hShow More⌵

Mol. Formula:
C19H34O

M.W.:
278.48

Type:
Unknown

AlogP:
5.34

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4863842

Name:
(R)-2-methyl-6-((1R,3aS,7aR,E)-7a-methyl-4-(2-(4-phenyl-1H-1,2,3-triazol-1-Show More⌵

Mol. Formula:
C28H41N3O

M.W.:
435.66

Type:
Unknown

AlogP:
6.67

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4860383

Name:
(R)-6-((1R,3aS,7aR,E)-4-(2-(benzo[d]thiazol-2-ylthio)ethylidene)-7a-methyloShow More⌵

Mol. Formula:
C27H39NOS2

M.W.:
457.75

Type:
Unknown

AlogP:
8.11

Polar Surface Area:
33.12

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4858414

Name:
(R)-6-((1R,3aS,7aR,E)-4-(2-cyclohexylideneethylidene)-7a-methyloctahydro-1HShow More⌵

Mol. Formula:
C26H44O

M.W.:
372.64

Type:
Unknown

AlogP:
7.60

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4857842

Name:
2-(4-(1-((E)-2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyShow More⌵

Mol. Formula:
C34H48N4O3

M.W.:
560.78

Type:
Unknown

AlogP:
6.62

Polar Surface Area:
88.32

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4857346

Name:
(R)-6-((1R,3aS,7aR,E)-4-(2-(tert-butylamino)ethylidene)-7a-methyloctahydro-Show More⌵

Mol. Formula:
C24H45NO

M.W.:
363.63

Type:
Unknown

AlogP:
6.09

Polar Surface Area:
32.26

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4856168

Name:
(R)-2-methyl-6-((1R,3aS,7aR,E)-7a-methyl-4-(2-(4-(pyridin-2-yl)-1H-1,2,3-trShow More⌵

Mol. Formula:
C27H40N4O

M.W.:
436.64

Type:
Unknown

AlogP:
6.06

Polar Surface Area:
63.83

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4856068

Name:
(R)-6-((1R,3aS,7aR,E)-4-(2-(4-(4-hydroxybutyl)-1H-1,2,3-triazol-1-yl)ethyliShow More⌵

Mol. Formula:
C26H45N3O2

M.W.:
431.67