Compounds

ALA5272388

Name:
2-((hydroxy((R)-3-((8-((3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylvinyl)-1Show More⌵

Mol. Formula:
C41H59NO9P+

M.W.:
740.90

Type:
---

AlogP:
7.75

Polar Surface Area:
128.59

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA5271417

Name:
(1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylvinyl)-1,2,3,3a,6,6a-hexahydropenShow More⌵

Mol. Formula:
C28H34O

M.W.:
386.58

Type:
---

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

ALA5268848

Name:
(6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophene-3,7-diyl)bis((4-(2-(piperidShow More⌵

Mol. Formula:
C42H44N2O6S

M.W.:
704.89

Type:
---

AlogP:
8.17

Polar Surface Area:
99.54

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5277988

Name:
1-(3'-(1-(2-morpholinoethyl)-1H-pyrazol-3-yl)-[1,1'-biphenyl]-3-yl)ethan-1-Show More⌵

Mol. Formula:
C23H25N3O2

M.W.:
375.47

Type:
---

AlogP:
3.75

Polar Surface Area:
47.36

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5276726

Name:
3,5-di-tert-butyl-2-hydroxy-N-pentylbenzamide

Mol. Formula:
C20H33NO2

M.W.:
319.49

Type:
---

AlogP:
4.91

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5286913

Name:
4-(3-(1-(2-(dimethylamino)ethyl)-1H-pyrazol-3-yl)phenyl)-N,N,5,6-tetramethyShow More⌵

Mol. Formula:
C21H28N6

M.W.:
364.50

Type:
---

AlogP:
3.25

Polar Surface Area:
50.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5198453

Name:
10-[(3aR,6R)-6-hydroxy-3-phenyl-3a-(1-phenylvinyl)-4,5,6,6a-tetrahydro-1H-pShow More⌵

Mol. Formula:
C32H40O3

M.W.:
472.67

11 activity values

1 unique targets

Type:
---

AlogP:
7.91

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5177743

Name:
10-[(3aR,6S)-3-phenyl-3a-(1-phenylvinyl)-6-(sulfamoylamino)-4,5,6,6a-tetrahShow More⌵

Mol. Formula:
C32H42N2O4S

M.W.:
550.77

65 activity values

1 unique targets

Type:
---

AlogP:
6.71

Polar Surface Area:
109.49

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

RJW100

Name:
(1R,3aR)-5-hexyl-4-phenyl-3a-(1-phenylvinyl)-2,3,6,6a-tetrahydro-1H-pentaleShow More⌵

Mol. Formula:
C28H34O

M.W.:
386.58

4 activity values

1 unique targets

Type:
---

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

ALA4645796

Name:
(3S,3aR,6aR)-5-hexyl-6-phenyl-3-(sulfamoylamino)-1,2,3,3a,4,6a-hexahydropenShow More⌵

Mol. Formula:
C20H30N2O2S

M.W.:
362.54

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
72.19

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4644327

Name:
10-((3aS,6R,6aR)-6-hydroxy-3a-((methyl(phenyl)amino)methyl)-3-phenyl-1,3a,4Show More⌵

Mol. Formula:
C32H43NO3

M.W.:
489.70

3 activity values

1 unique targets

Type:
Unknown

AlogP:
7.33

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4638625

Name:
10-((3aR,6R,6aR)-6-hydroxy-3-phenyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl)deShow More⌵

Mol. Formula:
C24H34O3

M.W.:
370.53

2 activity values

1 unique targets

Type:
Unknown

AlogP:
5.83

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4637563

Name:
(3S,3aR,6aS)-5-hexyl-6a-[(N-methylanilino)methyl]-6-phenyl-3-(sulfamoylaminShow More⌵

Mol. Formula:
C28H39N3O2S

M.W.:
481.71

7 activity values

1 unique targets

Type:
Unknown

AlogP:
5.51

Polar Surface Area:
75.43

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4587527

Name:
(+/-)-Exo-5-hexyl-4-phenyl-3a-(1-phenylvinyl)-1,2,3,3a,6,6a-hexahydropentalShow More⌵

Mol. Formula:
C29H36N2O4S

M.W.:
508.68

1 activity values

1 unique targets

Type:
Unknown

AlogP:
6.22

Polar Surface Area:
98.49

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4574667

Name:
(+/-)-(exo)-3a-(1-(2-fluorophenyl)vinyl)-5-hexyl-4-phenyl-1,2,3,3a,6,6a-hexShow More⌵

Mol. Formula:
C28H33FO

M.W.:
404.57

2 activity values

1 unique targets

Type:
Unknown

AlogP:
7.42

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4572760

Name:
(+/-)-(exo)-4-(3-fluoro-5-hydroxyphenyl)-5-hexyl-3a-(1-phenylvinyl)-1,2,3,3Show More⌵

Mol. Formula:
C28H33FO2

M.W.:
420.57

1 activity values

1 unique targets

Type:
Unknown

AlogP:
7.13

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4569856

Name:
(+/-)-(exo)-4-(5-amino-2-methylphenyl)-5-hexyl-3a-(1-phenylvinyl)-1,2,3,3a,Show More⌵

Mol. Formula:
C29H37NO

M.W.:
415.62

1 activity values

1 unique targets

Type:
Unknown

AlogP:
7.18

Polar Surface Area:
46.25

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4569459

Name:
(+/-)-N-((Exo)-5-hexyl-4-phenyl-3a-(1-phenylvinyl)-1,2,3,3a,6,6ahexahydropeShow More⌵

Mol. Formula:
C30H37NO

M.W.:
427.63

1 activity values

1 unique targets

Type:
Unknown

AlogP:
7.43

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4566367

Name:
(+/-)-Exo-5-hexyl-4-phenyl-3a-(1-phenylvinyl)-1,2,3,3a,6,6a-hexahydropentalShow More⌵

Mol. Formula:
C29H35NO2

M.W.:
429.60

1 activity values

1 unique targets

Type:
Unknown

AlogP:
7.39

Polar Surface Area:
52.32

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4565513

Name:
(+/-)-Endo-5-hexyl-4-phenyl-3a-(1-phenylvinyl)-1,2,3,3a,6,6a-hexahydropentaShow More⌵

Mol. Formula:
C29H36N2O4S

M.W.:
508.68

3 activity values

1 unique targets

Type:
Unknown

AlogP:
6.22

Polar Surface Area:
98.49

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS