Compounds

Type:
Unknown

AlogP:
6.09

Polar Surface Area:
72.19

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4467442

Name:
Phosphatidylinositol 4,5-bisphosphate

Mol. Formula:
C47H85O19P3

M.W.:
1047.10

3 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4452196

Name:
methyl 10-(6-amino-3-phenyl-3a-(1-phenylvinyl)-1,3a,4,5,6,6a-hexahydropentaShow More⌵

Mol. Formula:
C33H43NO2

M.W.:
485.71

3 activity values

Type:
Unknown

AlogP:
7.96

Polar Surface Area:
52.32

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4448429

Name:
3,5-di-tert-butyl-N-butyl-2-hydroxybenzamide

Mol. Formula:
C19H31NO2

M.W.:
305.46

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1765966

Name:
rac-(1R,5R,7S)-7-Acetoxy-3-hexyl-2-phenyl-1-(phenylvinyl)-bicyclo[3.3.0]octShow More⌵

Mol. Formula:
C30H36O2

M.W.:
428.62

Type:
Small molecule

AlogP:
7.86

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1765965

Name:
rac-(1R,5R,7R)-7-Acetoxy-3-hexyl-2-phenyl-1-(phenylvinyl)-bicyclo[3.3.0]octShow More⌵

Mol. Formula:
C30H36O2

M.W.:
428.62

Type:
Small molecule

AlogP:
7.86

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1765964

Name:
rac-(1R,5R,7S)-3-hexyl-7-hydroxy-2-phenyl-1-(phenylvinyl)-bicyclo[3.3.0]octShow More⌵

Mol. Formula:
C28H34O

M.W.:
386.58

Type:
Small molecule

AlogP:
7.29

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1765963

Name:
rac-(1R,5R,7R)-3-Hexyl-7-hydroxy-2-phenyl-1-(phenylvinyl)-bicyclo[3.3.0]octShow More⌵

Mol. Formula:
C28H34O

M.W.:
386.58

Type:
Small molecule

AlogP:
7.29

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1765962

Name:
rac-(1R,5R,6S)-6-Acetoxy-3-hexyl-2-phenyl-1-(phenylvinyl)-bicyclo[3.3.0]octShow More⌵

Mol. Formula:
C30H36O2

M.W.:
428.62

Type:
Small molecule

AlogP:
7.86

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1765961

Name:
rac-(1R,5R,6R)-6-Acetoxy-3-hexyl-2-phenyl-1-(phenylvinyl)-bicyclo[3.3.0]octShow More⌵

Mol. Formula:
C30H36O2

M.W.:
428.62

Type:
Small molecule

AlogP:
7.86

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA1765960

Name:
rac-(1R,5R,6S)-3-Hexyl-6-hydroxy-2-phenyl-1-(phenylvinyl)-bicyclo[3.3.0]octShow More⌵

Mol. Formula:
C28H34O

M.W.:
386.58

Type:
Small molecule

AlogP:
7.29

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1765956

Name:
rac-(3aR,7aR)-2-hexyl-3-phenyl-3a-(1-phenylvinyl)-3a,4,5,6,7,7a-hexahydro-1Show More⌵

Mol. Formula:
C29H36

M.W.:
384.61

Type:
Small molecule

AlogP:
8.70

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1765955

Name:
rac-(1R,5R)-3-Dimethyl(phenyl)silane-2-phenyl-1-(phenylvinyl)-bicyclo[3.3.0Show More⌵

Mol. Formula:
C30H32Si

M.W.:
420.67

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1765954

Name:
rac-(1R,5R)-3-Octyl-2-phenyl-1-(phenylvinyl)-bicyclo[3.3.0]oct-2-ene

Mol. Formula:
C30H38

M.W.:
398.63

Type:
Small molecule

AlogP:
9.09

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA1765953

Name:
rac-(1R,5R)-3-Butyl-2-phenyl-1-(phenylvinyl)-bicyclo[3.3.0]oct-2-ene

Mol. Formula:
C26H30

M.W.:
342.53

Type:
Small molecule

AlogP:
7.53

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1765952

Name:
rac-(1R,5R)-2-Phenyl-1-(phenylvinyl)-bicyclo[3.3.0]oct-2-ene

Mol. Formula:
C22H22

M.W.:
286.42

Type:
Small molecule

AlogP:
5.97

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1765950

Name:
rac-(3aR,6aR)-6-cyclohexyl-5-hexyl-6a-(1-phenylvinyl)-1,2,3,3a,4,6a-hexahydShow More⌵

Mol. Formula:
C28H40

M.W.:
376.63

Type:
Small molecule

AlogP:
8.74

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1765949

Name:
rac-(1R,5R)-2-Hexyl-3-hexyl-1-(phenylvinyl)-bicyclo[3.3.0]oct-2-ene

Mol. Formula:
C28H42

M.W.:
378.64

Type:
Small molecule

AlogP:
9.13

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA1765946

Name:
rac-(1R,5R)-2-(4-Ethylphenyl)-3-hexyl-1-(phenylvinyl)-bicyclo[3.3.0]oct-2-eShow More⌵

Mol. Formula:
C30H38

M.W.:
398.63

Type:
Small molecule

AlogP:
8.88

Polar Surface Area:
0.00

HBA:
---

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1765945

Name:
rac-(3aR,6aR)-5-hexyl-6-(3-methoxyphenyl)-6a-(1-phenylvinyl)-1,2,3,3a,4,6a-Show More⌵

Mol. Formula:
C29H36O

M.W.:
400.61