Compounds

ALA5094437

Name:
((2S,4R)-4-benzyl-1-(8-cyclopropyl-2-methyl-9H-pyrimido[4,5-b]indol-4-yl)pyShow More⌵

Mol. Formula:
C26H28N4O

M.W.:
412.54

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
65.04

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5094187

Name:
(S)-(1-(8-cyclopropyl-2-methyl-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-2-ylShow More⌵

Mol. Formula:
C19H22N4O

M.W.:
322.41

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
65.04

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5093860

Name:
8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole

Mol. Formula:
C15H14N2

M.W.:
222.29

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
28.68

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5092915

Name:
((2S,4S)-4-benzyl-1-(8-cyclopropyl-2-methyl-9H-pyrimido[4,5-b]indol-4-yl)pyShow More⌵

Mol. Formula:
C27H30N4O2

M.W.:
442.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
85.27

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5092161

Name:
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-thiadiaShow More⌵

Mol. Formula:
C19H18N4S

M.W.:
334.45

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.98

Polar Surface Area:
54.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5092147

Name:
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-ylShow More⌵

Mol. Formula:
C22H24N4O

M.W.:
360.46

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.71

Polar Surface Area:
67.60

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5090085

Name:
(S)-3-(5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazoShow More⌵

Mol. Formula:
C31H33N5O2

M.W.:
507.64

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.96

Polar Surface Area:
96.70

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5089800

Name:
5-((3S,5R)-1-(8-cyclopropyl-2-methyl-9H-pyrimido[4,5-b]indol-4-yl)-5-ethylpShow More⌵

Mol. Formula:
C25H27N5O2

M.W.:
429.52

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
97.90

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5087238

Name:
N-benzyl-3-(5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxaShow More⌵

Mol. Formula:
C30H31N5O2

M.W.:
493.61

4 activity values

3 unique targets

Type:
Unknown

AlogP:
6.40

Polar Surface Area:
96.70

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5087040

Name:
5-((3S,5S)-1-(8-cyclopropyl-2-methyl-9H-pyrimido[4,5-b]indol-4-yl)-5-(hydroShow More⌵

Mol. Formula:
C24H25N5O3

M.W.:
431.50

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.68

Polar Surface Area:
118.13

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5085080

Name:
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propyl-1,3,4-oxadiaShow More⌵

Mol. Formula:
C20H20N4O

M.W.:
332.41

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
67.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5083573

Name:
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-methyl-1,3,4-oxadiaShow More⌵

Mol. Formula:
C18H16N4O

M.W.:
304.35

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
67.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5082649

Name:
8-cyclopropyl-2-methyl-9H-pyrimido[4,5-b]indole

Mol. Formula:
C14H13N3

M.W.:
223.28

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5082347

Name:
((2S,4S)-1-(8-cyclopropyl-2-methyl-9H-pyrimido[4,5-b]indol-4-yl)-4-phenylpyShow More⌵

Mol. Formula:
C25H26N4O

M.W.:
398.51

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.65

Polar Surface Area:
65.04

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5081612

Name:
8-cyclopropyl-N,2-dimethyl-9H-pyrido[2,3-b]indole-3-carboxamide

Mol. Formula:
C17H17N3O

M.W.:
279.34

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5080906

Name:
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-isobutyl-1,3,4-oxadShow More⌵

Mol. Formula:
C21H22N4O

M.W.:
346.43

2 activity values

2 unique targets

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
67.60

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5079949

Name:
(3S,5S)-3-benzyl-1-(8-cyclopropyl-2-methyl-9H-pyrimido[4,5-b]indol-4-yl)-5-Show More⌵

Mol. Formula:
C27H29N5O2

M.W.:
455.56

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
108.13

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5079107

Name:
N-(1-(5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazolShow More⌵

Mol. Formula:
C30H31N5O2

M.W.:
493.61

4 activity values

3 unique targets

Type:
Unknown

AlogP:
6.40

Polar Surface Area:
96.70

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5078510

Name:
(R)-(1-(8-cyclopropyl-2-methyl-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-2-ylShow More⌵

Mol. Formula:
C19H22N4O

M.W.:
322.41

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
65.04

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5078217

Name:
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazShow More⌵

Mol. Formula:
C19H18N4O

M.W.:
318.38

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
67.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS