Compounds

Type:
Unknown

AlogP:
6.59

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5091673

Name:
(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2S,3R)-6-methyl-3-(prop-2-yn-1-Show More⌵

Mol. Formula:
C30H46O2

M.W.:
438.70

Type:
Unknown

AlogP:
7.25

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5086005

Name:
(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-1(2S,3R)-6-hydroxy-6-methyl-3-(prop-2-yn-1-Show More⌵

Mol. Formula:
C30H46O3

M.W.:
454.70

Type:
Unknown

AlogP:
6.36

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5085638

Name:
(5S,6S)-6-[(1R,3as,4E,7aR)-4-{2-[(1Z,5S)-5-hydroxy-2-methylidenecyclohexyliShow More⌵

Mol. Formula:
C27H44O3

M.W.:
416.65

Type:
Unknown

AlogP:
5.70

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5084820

Name:
(5R,6S)-6-[(1R,3aS,4E,7aR)-4-{2-[(1Z,5S)-5-hydroxy-2-methylidenecyclohexyliShow More⌵

Mol. Formula:
C27H44O3

M.W.:
416.65

Type:
Unknown

AlogP:
5.70

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5081148

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

Mol. Formula:
C27H44O2

M.W.:
400.65

Type:
Unknown

AlogP:
6.59

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5078522

Name:
(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2S,3S)-6-methyl-3-(prop-2-yn-1-Show More⌵

Mol. Formula:
C30H46O2

M.W.:
438.70

Type:
Unknown

AlogP:
7.25

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5076625

Name:
5-[(3aR,4R,6aS)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]N-{2-[2-(Show More⌵

Mol. Formula:
C48H78N6O8S

M.W.:
899.25

11 activity values

3 unique targets

Type:
Unknown

AlogP:
6.41

Polar Surface Area:
178.32

HBA:
12

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5073842

Name:
5-[(3aR,4R,6aS)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]N-{2-[2-(Show More⌵

Mol. Formula:
C48H78N6O8S

M.W.:
899.25

6 activity values

3 unique targets

Type:
Unknown

AlogP:
6.41

Polar Surface Area:
178.32

HBA:
12

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4105406

Name:
(1R,3aR,4S,6S,7aR)-6-(2-hydroxyethyl)-7a-methyl-1-((R)-6-methylheptan-2-yl)Show More⌵

Mol. Formula:
C20H38O2

M.W.:
310.52

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4102986

Name:
(1R,3aR,6R,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)-6-vinylhexahydro-1H-iShow More⌵

Mol. Formula:
C20H34O

M.W.:
290.49

Type:
Small molecule

AlogP:
5.65

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4087536

Name:
(1R,3aR,4S,6R,7aR)-6-benzyl-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydro-Show More⌵

Mol. Formula:
C32H44O3

M.W.:
476.70

Type:
Small molecule

AlogP:
8.07

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4078710

Name:
(1R,3aR,4S,6S,7aR)-6-ethyl-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydro-1Show More⌵

Mol. Formula:
C27H42O3

M.W.:
414.63

6 activity values

Type:
Small molecule

AlogP:
7.23

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4073144

Name:
(1R,3aR,4S,6S,7aR)-6-(2-hydroxyethyl)-7a-methyl-1-((R)-6-methylheptan-2-yl)Show More⌵

Mol. Formula:
C27H42O4

M.W.:
430.63

6 activity values

Type:
Small molecule

AlogP:
6.20

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4067824

Name:
(1R,3aR,4S,6R,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)-6-phenyloctahydro-Show More⌵

Mol. Formula:
C31H42O3

M.W.:
462.67

Type:
Small molecule

AlogP:
7.99

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4063948

Name:
(1R,3aR,4S,6R,7aR)-6-cyclohexyl-7a-methyl-1-((R)-6-methylheptan-2-yl)octahyShow More⌵

Mol. Formula:
C31H48O3

M.W.:
468.72

Type:
Small molecule

AlogP:
8.40

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3408159

Name:
(E)-ethyl 2-((1R,3aS,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)dihydro-1H-iShow More⌵

Mol. Formula:
C22H38O2

M.W.:
334.54

Type:
Small molecule

AlogP:
6.15

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3408158

Name:
3-hydroxy-N-((1R,3aR,4S,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydroShow More⌵

Mol. Formula:
C25H39NO2

M.W.:
385.59

12 activity values

5 unique targets

Type:
Small molecule

AlogP:
6.17

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3408017

Name:
(1R,3aR,7aR,E)-7a-methyl-1-((R)-6-methylheptan-2-yl)hexahydro-1H-inden-4(2HShow More⌵

Mol. Formula:
C18H33NO

M.W.:
279.47