Compounds

Type:
Unknown

AlogP:
4.94

Polar Surface Area:
18.84

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4587164

Name:
4'-(2,3,4,5-tetrahydro-11H[1,3]diazepino[1,2-a]benzimidazol-11-yl-methyl)biShow More⌵

Mol. Formula:
C26H27BrN2O2

M.W.:
479.42

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4567486

Name:
6-(benzyloxy)-9-(4-chlorobenzoyl)-2,3,4,4a,9,9a-hexahydro-1H-carbazole-3-caShow More⌵

Mol. Formula:
C27H24ClNO4

M.W.:
461.95

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.92

Polar Surface Area:
66.84

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4567200

Name:
Methyl 4'-(2,3,4,5-tetrahydro-11H[1,3]diazepino[1,2-a]benzimidazol-11-yl-meShow More⌵

Mol. Formula:
C27H29BrN2O2

M.W.:
493.45

Type:
Unknown

AlogP:
5.87

Polar Surface Area:
32.78

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4553821

Name:
4-(2,3-Dihydro-9H-imidazo[1,2-a]benzimidazol-9-yl-methyl)benzoic acid hydroShow More⌵

Mol. Formula:
C17H16BrN3O2

M.W.:
374.24

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
56.14

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA4537753

Name:
4'-(2,3,4,5-tetrahydro-11H[1,3]diazepino[1,2-a]benzimidazol-11-yl-methyl)biShow More⌵

Mol. Formula:
C25H23BrN4

M.W.:
459.39

11 activity values

6 unique targets

Type:
Unknown

AlogP:
5.20

Polar Surface Area:
42.63

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4536501

Name:
4'-(2,3,4,5-tetrahydro-11H[1,3]diazepino[1,2-a]benzimidazol-11-yl-methyl)biShow More⌵

Mol. Formula:
C24H24BrN3

M.W.:
434.38

Type:
Unknown

AlogP:
5.33

Polar Surface Area:
18.84

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4535233

Name:
Methyl 4'-(2,3-dihydro-9H-imidazo[1,2-a]benzimidazol-9-yl-methyl)biphenyl-2Show More⌵

Mol. Formula:
C24H22BrN3O2

M.W.:
464.36

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
45.14

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4534263

Name:
Ethyl 4-(2,3-dihydro-9H-imidazo[1,2-a]benzimidazol-9-yl-methyl)benzoate hydShow More⌵

Mol. Formula:
C19H20BrN3O2

M.W.:
402.29

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
45.14

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4469542

Name:
4'-(2,3-dihydro-9H-imidazo[1,2-a]benzimidazol-9-yl-methyl)biphenyl-2-carbonShow More⌵

Mol. Formula:
C23H19BrN4

M.W.:
431.34

11 activity values

6 unique targets

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
42.63

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4466855

Name:
4'-(3,4-dihydropyrimido[1,2-a]benzimidazole-10(2H)-yl-methyl)biphenyl-2-carShow More⌵

Mol. Formula:
C24H21BrN4

M.W.:
445.36

12 activity values

6 unique targets

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
42.63

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4464913

Name:
4'-(2,3-dihydro-9H-imidazo[1,2-a]benzimidazol-9-yl-methyl)biphenyl-2-carboxShow More⌵

Mol. Formula:
C23H20BrN3O2

M.W.:
450.34

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
56.14

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4463924

Name:
4'-(2,3-dihydro-9H-imidazo[1,2-a]benzimidazol-9-yl-methyl)biphenyl HydrobroShow More⌵

Mol. Formula:
C22H20BrN3

M.W.:
406.33

Type:
Unknown

AlogP:
4.55

Polar Surface Area:
18.84

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4441196

Name:
Methyl 4'-(3,4-dihydropyrimido[1,2-a]benzimidazole-10(2H)-yl-methyl)biphenyShow More⌵

Mol. Formula:
C25H24BrN3O2

M.W.:
478.39

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
45.14

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4438978

Name:
4'-(3,4-dihydropyrimido[1,2-a]benzimidazole-(2H)-yl-methyl)biphenyl-2-carboShow More⌵

Mol. Formula:
C24H22BrN3O2

M.W.:
464.36

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
56.14

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4105032

Name:
(S)-4,6-Difluoro-5-(4-(tetrahydro-2H-pyran-2-yl)phenyl)-1H-indole-3-carboxyShow More⌵

Mol. Formula:
C20H17F2NO3

M.W.:
357.36

54 activity values

14 unique targets

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
62.32

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4097332

Name:
6-Chloro-5-(6-(dimethylamino)pyridin-3-yl)-1H-indole-3-carboxylic acid

Mol. Formula:
C16H14ClN3O2

M.W.:
315.76

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
69.22

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4087189

Name:
6-Chloro-5-(6-methoxypyridin-3-yl)-1H-indole-3-carboxylic acid

Mol. Formula:
C15H11ClN2O3

M.W.:
302.72

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
75.21

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4079303

Name:
6-Chloro-5-(2,6-dimethoxypyridin-3-yl)-1H-indole-3-carboxylic acid

Mol. Formula:
C16H13ClN2O4

M.W.:
332.74

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
84.44

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4059813

Name:
(R)-4,6-Difluoro-5-(4-(tetrahydro-2H-pyran-2-yl)phenyl)-1H-indole-3-carboxyShow More⌵

Mol. Formula:
C20H17F2NO3

M.W.:
357.36