Compounds

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
150.18

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4875327

Name:
(S)-4-Chloro-7-{2-oxo-2-[4-(2-oxo-2,3-dihydro-imidazo[4,5-b]pyridin-1-yl)-pShow More⌵

Mol. Formula:
C28H26ClF6N7O4

M.W.:
674.00

10 activity values

3 unique targets

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
129.09

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4874451

Name:
(S)-4-Chloro-8-oxo-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-benzo[d][1,3]diaShow More⌵

Mol. Formula:
C31H30ClF3N6O3

M.W.:
627.07

Type:
Unknown

AlogP:
5.23

Polar Surface Area:
112.54

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4874351

Name:
(S)-4-Chloro-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-benzo[d][1,3]diazepin-Show More⌵

Mol. Formula:
C30H31ClF3N5O3

M.W.:
602.06

Type:
Unknown

AlogP:
5.36

Polar Surface Area:
88.75

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4874157

Name:
(S)-4-Chloro-1-methyl-7-{2-oxo-2-[4-(6-oxo-5,6,8,9-tetrahydro-1,5,7-triaza-Show More⌵

Mol. Formula:
C29H31ClF3N7O4

M.W.:
634.06

Type:
Unknown

AlogP:
3.45

Polar Surface Area:
123.64

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4873378

Name:
(S)-4-Chloro-1,1-difluoro-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-benzo[d][Show More⌵

Mol. Formula:
C30H29ClF5N5O4

M.W.:
654.04

Type:
Unknown

AlogP:
4.92

Polar Surface Area:
102.06

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4873084

Name:
(S)-4-Chloro-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-benzo[d][1,3]diazepin-Show More⌵

Mol. Formula:
C29H29ClF3N5O5

M.W.:
620.03

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
118.96

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4871223

Name:
(S)-4-Chloro-8-oxo-7-{2-oxo-2-[4-(2-oxo-2,3-dihydro-imidazo[4,5-b]pyridin-1Show More⌵

Mol. Formula:
C28H25ClF3N7O3

M.W.:
600.00

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
130.88

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4859941

Name:
(S)-4-Chloro-1-ethyl-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-benzo[d][1,3]dShow More⌵

Mol. Formula:
C31H34ClF3N6O4

M.W.:
647.10

8 activity values

3 unique targets

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
110.75

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4857649

Name:
(S)-4-Chloro-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-benzo[d][1,3]diazepin-Show More⌵

Mol. Formula:
C31H31ClF6N6O4

M.W.:
701.07

18 activity values

5 unique targets

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
110.75

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4853137

Name:
(S)-4-Chloro-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-benzo[d][1,3]diazepin-Show More⌵

Mol. Formula:
C28H29ClF3N7O3

M.W.:
604.03

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
114.53

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4849710

Name:
(S)-4-Chloro-1,1-difluoro-7-{2-oxo-2-[4-(2-oxo-2,3-dihydro-imidazo[4,5-b]pyShow More⌵

Mol. Formula:
C27H24ClF5N6O4

M.W.:
626.97

16 activity values

5 unique targets

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
120.40

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4848486

Name:
(S)-4-Chloro-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-benzo[d][1,3]diazepin-Show More⌵

Mol. Formula:
C29H30ClF3N6O4

M.W.:
619.04

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
121.61

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4848032

Name:
(S)-4-Chloro-1-methyl-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-benzo[d][1,3]Show More⌵

Mol. Formula:
C30H32ClF3N6O4

M.W.:
633.07

21 activity values

5 unique targets

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
110.75

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4846749

Name:
(S)-4-Chloro-7-{2-oxo-2-[4-(2-oxo-1,2,4,5-tetrahydro-benzo[d][1,3]diazepin-Show More⌵

Mol. Formula:
C29H30ClF3N6O3

M.W.:
603.05

Type:
Unknown

AlogP:
4.75

Polar Surface Area:
101.64

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4798946

Name:
(R)-N-(4-chloro-9-neopentyl-8-oxo-3,6,7,8,9,10-hexahydroazepino[3,4-e]indazShow More⌵

Mol. Formula:
C30H36ClN7O3

M.W.:
578.12

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
113.67

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4795912

Name:
(R)-N-(9-methyl-8-oxo-3,6,7,8,9,10-hexahydroazepino[3,4-e]indazol-7-yl)-4-(Show More⌵

Mol. Formula:
C26H29N7O3

M.W.:
487.56

Type:
Unknown

AlogP:
2.67

Polar Surface Area:
113.67

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4792127

Name:
(R)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(8-oxo-9-(piperidin-4-yl)-3,Show More⌵

Mol. Formula:
C30H36N8O3

M.W.:
556.67

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
125.70

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4787479

Name:
(R)-N-(9-isobutyl-8-oxo-3,6,7,8,9,10-hexahydroazepino[3,4-e]indazol-7-yl)-4Show More⌵

Mol. Formula:
C29H35N7O3

M.W.:
529.65

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
113.67

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4785845

Name:
(S)-4-chloro-7-(2-(4-(8-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)piperidin-1-yShow More⌵

Mol. Formula:
C29H26ClF4N5O3

M.W.:
604.00