Compounds

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
58.28

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3590013

Name:
(2-(5-methoxy-1-methyl-1H-indol-3-yl)-1H-benzo[d]imidazol-1-yl)(phenyl)methShow More⌵

Mol. Formula:
C24H19N3O2

M.W.:
381.44

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
49.05

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3590012

Name:
(3-bromophenyl)(2-(1-methyl-1H-indol-3-yl)-1H-benzo[d]imidazol-1-yl)methanoShow More⌵

Mol. Formula:
C23H16BrN3O

M.W.:
430.31

Type:
Small molecule

AlogP:
5.65

Polar Surface Area:
39.82

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3590011

Name:
(2-bromophenyl)(2-(1-methyl-1H-indol-3-yl)-1H-benzo[d]imidazol-1-yl)methanoShow More⌵

Mol. Formula:
C23H16BrN3O

M.W.:
430.31

Type:
Small molecule

AlogP:
5.65

Polar Surface Area:
39.82

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3590010

Name:
(2-(1-methyl-1H-indol-3-yl)-1H-benzo[d]imidazol-1-yl)(3,4,5-trimethoxyphenyShow More⌵

Mol. Formula:
C26H23N3O4

M.W.:
441.49

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
67.51

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3590009

Name:
(3,4-dimethoxyphenyl)(2-(1-methyl-1H-indol-3-yl)-1H-benzo[d]imidazol-1-yl)mShow More⌵

Mol. Formula:
C25H21N3O3

M.W.:
411.46

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
58.28

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3590008

Name:
(4-methoxyphenyl)(2-(1-methyl-1H-indol-3-yl)-1H-benzo[d]imidazol-1-yl)methaShow More⌵

Mol. Formula:
C24H19N3O2

M.W.:
381.44

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
49.05

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3590007

Name:
(3-methoxyphenyl)(2-(1-methyl-1H-indol-3-yl)-1H-benzo[d]imidazol-1-yl)methaShow More⌵

Mol. Formula:
C24H19N3O2

M.W.:
381.44

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
49.05

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3590006

Name:
(2-methoxyphenyl)(2-(1-methyl-1H-indol-3-yl)-1H-benzo[d]imidazol-1-yl)methaShow More⌵

Mol. Formula:
C24H19N3O2

M.W.:
381.44

Type:
Small molecule

AlogP:
4.89

Polar Surface Area:
49.05

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3590005

Name:
(2-(1-methyl-1H-indol-3-yl)-1H-benzo[d]imidazol-1-yl)(phenyl)methanone

Mol. Formula:
C23H17N3O

M.W.:
351.41

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
39.82

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3589467

Name:
Benzyl 1-((5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,Show More⌵

Mol. Formula:
C30H26N4O9

M.W.:
586.56

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
153.35

HBA:
13

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3589466

Name:
(5R,5aR,8aS,9S)-9-(5-Benzoyl-1H-tetrazol-1-yl)-5-(4-hydroxy-3,5-dimethoxyphShow More⌵

Mol. Formula:
C29H24N4O8

M.W.:
556.53

10 activity values

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
144.12

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3589465

Name:
Ethyl1-((5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8aShow More⌵

Mol. Formula:
C25H24N4O9

M.W.:
524.49

10 activity values

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
153.35

HBA:
13

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3589464

Name:
Methyl1-((5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8Show More⌵

Mol. Formula:
C24H22N4O9

M.W.:
510.46

Type:
Small molecule

AlogP:
1.44

Polar Surface Area:
153.35

HBA:
13

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3589463

Name:
(5R,5aR,8aS,9S)-5-(4-Hydroxy-3,5-dimethoxyphenyl)-9-(5-tosyl-1H-tetrazol-1-Show More⌵

Mol. Formula:
C29H26N4O9S

M.W.:
606.61

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
161.19

HBA:
13

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3589462

Name:
Benzyl 1-((5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-heShow More⌵

Mol. Formula:
C31H28N4O9

M.W.:
600.58

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
142.35

HBA:
13

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3589461

Name:
(5R,5aR,8aS,9S)-9-(5-Benzoyl-1H-tetrazol-1-yl)-5-(3,4,5-trimethoxyphenyl)-5Show More⌵

Mol. Formula:
C30H26N4O8

M.W.:
570.56

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
133.12

HBA:
12

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3589460

Name:
Ethyl 1-((5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexShow More⌵

Mol. Formula:
C26H26N4O9

M.W.:
538.51