Compounds

Type:
Unknown

AlogP:
6.06

Polar Surface Area:
59.93

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4794492

Name:
(+/-)-2-(5-(3-Chloro-4-((1-(2-(trifluoromethyl)phenyl)ethyl)amino)-quinolinShow More⌵

Mol. Formula:
C25H22ClF3N4O

M.W.:
486.93

Type:
Unknown

AlogP:
6.76

Polar Surface Area:
70.93

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4793924

Name:
(R)-3-((2,2-dimethyl-3-oxo-6-(2-(3-oxohexahydroimidazo[1,5-a]pyrazin-7(1H)-Show More⌵

Mol. Formula:
C27H26N8O2

M.W.:
494.56

28 activity values

5 unique targets

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
118.35

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4793685

Name:
8-phenylisoquinoline

Mol. Formula:
C15H11N

M.W.:
205.26

5 activity values

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
12.89

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4793441

Name:
(R)-1-(2-(difluoromethoxy)benzyl)-6-(2-(4-(2-hydroxyacetyl)-3-methylpiperazShow More⌵

Mol. Formula:
C29H31F2N5O4

M.W.:
551.59

21 activity values

Type:
Unknown

AlogP:
3.76

Polar Surface Area:
99.10

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4793073

Name:
(R)-2-(5-(3-Chloro-4-((1-(2-fluoro-5-(pyrrolidin-1-yl)phenyl)-ethyl)amino)qShow More⌵

Mol. Formula:
C28H29ClFN5O

M.W.:
506.03

Type:
Unknown

AlogP:
6.49

Polar Surface Area:
74.17

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4790350

Name:
(+/-)-2-(5-(3-Chloro-4-((1-(2-fluorophenyl)propyl)amino)quinolin-6-yl)pyrimShow More⌵

Mol. Formula:
C25H24ClFN4O

M.W.:
450.95

Type:
Unknown

AlogP:
6.27

Polar Surface Area:
70.93

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4789269

Name:
6-Bromo-3-chloro-N-(2,5-dimethylphenyl)quinolin-4-amine

Mol. Formula:
C17H14BrClN2

M.W.:
361.67

Type:
Unknown

AlogP:
6.01

Polar Surface Area:
24.92

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4789048

Name:
(+/-)-2-(5-(3-Chloro-4-((1-(2-fluorophenyl)ethyl)amino)-1,7-naphthyridin-6-Show More⌵

Mol. Formula:
C23H21ClFN5O

M.W.:
437.91

Type:
Unknown

AlogP:
5.28

Polar Surface Area:
83.82

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4787790

Name:
(R)-3-((6-(2-(4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl)pyrimidin-5-yl)-2,Show More⌵

Mol. Formula:
C28H29N7O3

M.W.:
511.59

19 activity values

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
126.55

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4787433

Name:
(R)-3-Chloro-N-(1-(2-fluorophenyl)ethyl)-6-(6-(methylsulfonyl)-pyridin-3-ylShow More⌵

Mol. Formula:
C23H19ClFN3O2S

M.W.:
455.94

Type:
Unknown

AlogP:
5.67

Polar Surface Area:
71.95

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4787001

Name:
(R)-2-(5-(3-Chloro-4-((1-(2-fluorophenyl)ethyl)amino)quinolin-6-yl)pyrimidiShow More⌵

Mol. Formula:
C24H22ClFN4O

M.W.:
436.92

Type:
Unknown

AlogP:
5.88

Polar Surface Area:
70.93

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4785988

Name:
(R)-4-(5-(3-Chloro-4-((1-(2-fluorophenyl)ethyl)amino)quinolin-6-yl)pyrimidiShow More⌵

Mol. Formula:
C25H23ClFN5O2S

M.W.:
512.01

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
88.08

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4784273

Name:
2',7'-difluoro-3',6'-dihydroxy-N-(2-(2-(2-((4-(isoquinolin-8-yl)-3-(4-(isoqShow More⌵

Mol. Formula:
C60H47F2N3O10

M.W.:
1008.04

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4783749

Name:
(R)-2-(5-(4-((1-(5-Amino-2-fluorophenyl)ethyl)amino)-3-chloroquinolin-6-yl)Show More⌵

Mol. Formula:
C24H23ClFN5O

M.W.:
451.93

Type:
Unknown

AlogP:
5.47

Polar Surface Area:
96.95

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4783333

Name:
2-(4-(isoquinolin-8-yl)phenyl)acetonitrile

Mol. Formula:
C17H12N2

M.W.:
244.30

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
36.68

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4781606

Name:
(R)-2-(5-(3-Chloro-4-((1-phenylethyl)amino)quinolin-6-yl)-pyrimidin-2-yl)prShow More⌵

Mol. Formula:
C24H23ClN4O

M.W.:
418.93

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
70.93

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4781182

Name:
2-(5-(4-((2,5-Dimethylphenyl)amino)-3-methylquinolin-6-yl)-pyrimidin-2-yl)pShow More⌵

Mol. Formula:
C25H26N4O

M.W.:
398.51

Type:
Unknown

AlogP:
5.59

Polar Surface Area:
70.93

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4779860

Name:
1-(2-(difluoromethoxy)benzyl)-2,2-dimethylindolin-3-one

Mol. Formula:
C18H17F2NO2

M.W.:
317.34

5 activity values