Compounds

Type:
---

AlogP:
5.63

Polar Surface Area:
123.11

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5202497

Name:
(2S,3S,4S,5S)-3-(tert-butyl)-4-((2-(dimethylamino)pyridin-3-yl)amino)-5-(2-Show More⌵

Mol. Formula:
C31H44N4O4

M.W.:
536.72

5 activity values

Type:
---

AlogP:
5.32

Polar Surface Area:
95.00

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5201773

Name:
6-(1-(2-chloro-4'-fluoro-5-methoxy-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-yShow More⌵

Mol. Formula:
C24H18ClF4N5O5S

M.W.:
599.95

Type:
---

AlogP:
5.83

Polar Surface Area:
126.66

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5199231

Name:
Rac-N-Methyl-5-(6-(1-methyl-1H-pyrazol-4-yl)-5-((tetrahydrofuran-3-yl)oxy)pShow More⌵

Mol. Formula:
C21H21N7O3

M.W.:
419.45

6 activity values

5 unique targets

Type:
---

AlogP:
1.72

Polar Surface Area:
108.46

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5197874

Name:
6-(1-(2-chloro-3',5-dimethoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-3-Show More⌵

Mol. Formula:
C25H21ClF3N5O6S

M.W.:
611.99

Type:
---

AlogP:
5.70

Polar Surface Area:
135.89

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5194480

Name:
6-(1-(5-chloro-2-methoxy-4-(2-methoxy-6-(trifluoromethyl)pyridin-4-yl)phenyShow More⌵

Mol. Formula:
C24H20ClF3N6O6S

M.W.:
612.97

Type:
---

AlogP:
5.10

Polar Surface Area:
148.78

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5180378

Name:
(2S,3S,4S,5S)-3-(tert-butyl)-4-((5-(tert-butyl)-2-methoxybenzyl)amino)-5-((Show More⌵

Mol. Formula:
C35H48F3N3O6

M.W.:
663.78

7 activity values

Type:
---

AlogP:
6.01

Polar Surface Area:
110.22

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5180031

Name:
(2S,3S,4S,5S)-3-(tert-butyl)-5-(2-isopropylphenyl)-1-((S)-tetrahydro-2H-pyrShow More⌵

Mol. Formula:
C31H42N2O4

M.W.:
506.69

7 activity values

Type:
---

AlogP:
6.17

Polar Surface Area:
78.87

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5178099

Name:
(2S,3S,4S,5S)-3-(tert-butyl)-4-((5-(tert-butyl)-2-methoxybenzyl)amino)-5-phShow More⌵

Mol. Formula:
C33H46N2O5

M.W.:
550.74

5 activity values

Type:
---

AlogP:
5.72

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5178021

Name:
6-(1-(2-chloro-5-methoxy-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-3-methyShow More⌵

Mol. Formula:
C24H19ClF3N5O5S

M.W.:
581.96

Type:
---

AlogP:
5.70

Polar Surface Area:
126.66

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

N-(3-Chloro-4-morpholinophenyl)-N'-hydroxyformimidamide

Name:
N-(3-chloro-4-morpholinophenyl)-N'-hydroxyformimidamide

Mol. Formula:
C11H14ClN3O2

M.W.:
255.71

Type:
---

AlogP:
2.01

Polar Surface Area:
57.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5177085

Name:
6-(1-(2,4'-difluoro-5-methoxy-3'-(trifluoromethoxy)-[1,1'-biphenyl]-4-yl)-3Show More⌵

Mol. Formula:
C24H18F5N5O6S

M.W.:
599.49

5 activity values

Type:
---

AlogP:
5.20

Polar Surface Area:
135.89

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5171516

Name:
6-(1-(2-chloro-5-methoxy-3'-(2,2,2-trifluoroethoxy)-[1,1'-biphenyl]-4-yl)-3Show More⌵

Mol. Formula:
C25H21ClF3N5O6S

M.W.:
611.99

Type:
---

AlogP:
5.62

Polar Surface Area:
135.89

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5092805

Name:
6-Amino-3-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzShow More⌵

Mol. Formula:
C18H19FN4O

M.W.:
326.38

6 activity values

4 unique targets

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
75.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5092646

Name:
2-Amino-5-(1',2'-dihydrospiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yShow More⌵

Mol. Formula:
C18H20N4O

M.W.:
308.39

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
71.25

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5092507

Name:
2-Amino-5-(1',2'-dihydrospiro[cyclobutane-1,3'-pyrrolo[2,3-b]pyridin]-5'-ylShow More⌵

Mol. Formula:
C19H22N4O

M.W.:
322.41

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
71.25

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5092274

Name:
(R)-tert-butyl (3-(8-amino-3-cyano-6-methyl-5,6-dihydroimidazo[1,2-a]pyraziShow More⌵

Mol. Formula:
C19H21FN6O2

M.W.:
384.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
118.32

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5088939

Name:
2-Amino-5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide

Mol. Formula:
C18H20N4O

M.W.:
308.39

8 activity values

5 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
75.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5086273

Name:
2-Amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzShow More⌵

Mol. Formula:
C18H19ClN4O

M.W.:
342.83