Compounds

ALA3235674

Name:
(E)-Methyl 3-(4-(4-((E)-2-(4-chlorophenyl)-3-(3-(7-chloroquinolin-4-ylaminoShow More⌵

Mol. Formula:
C36H33Cl2N5O3

M.W.:
654.60

13 activity values

12 unique targets

Type:
Small molecule

AlogP:
9.10

Polar Surface Area:
96.87

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3235656

Name:
(E)-2-(4-Chlorophenyl)-1-(3-(7-chloroquinolin-4-ylamino)propyl)-3-(4-(2,5-dShow More⌵

Mol. Formula:
C31H25Cl4N5O

M.W.:
625.39

13 activity values

12 unique targets

Type:
Small molecule

AlogP:
9.83

Polar Surface Area:
70.57

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3235655

Name:
(E)-2-(4-chlorophenyl)-1-(2-(7-chloroquinolin-4-ylamino)ethyl)-3-(4-(2,5-diShow More⌵

Mol. Formula:
C30H23Cl4N5O

M.W.:
611.36

13 activity values

12 unique targets

Type:
Small molecule

AlogP:
9.44

Polar Surface Area:
70.57

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3235635

Name:
(E)-2-(4-Chlorophenyl)-1-(4-(7-chloroquinolin-4-ylamino)butyl)-3-(2-(4-methShow More⌵

Mol. Formula:
C33H31Cl2N5O2

M.W.:
600.55

13 activity values

12 unique targets

Type:
Small molecule

AlogP:
8.92

Polar Surface Area:
79.80

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA3235634

Name:
(E)-2-(4-Chlorophenyl)-1-(3-(7-chloroquinolin-4-ylamino)propyl)-3-(2-(4-metShow More⌵

Mol. Formula:
C32H29Cl2N5O2

M.W.:
586.52

13 activity values

12 unique targets

Type:
Small molecule

AlogP:
8.53

Polar Surface Area:
79.80

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3235629

Name:
(E)-1-(4-(7-Chloroquinolin-4-ylamino)butyl)-3-(2-(4-methoxyphenoxy)phenyl)-Show More⌵

Mol. Formula:
C33H32ClN5O2

M.W.:
566.11

13 activity values

12 unique targets

Type:
Small molecule

AlogP:
8.27

Polar Surface Area:
79.80

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA2170280

Name:
2-(2,4-difluorophenyl)-1-(4-((R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethShow More⌵

Mol. Formula:
C37H54F2N6O

M.W.:
636.88

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
7.43

Polar Surface Area:
69.78

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA558461

Name:
13-Amino-12-methyl-12H-5,12-diazabenzo[4,5]cyclohepta[1,2-b]naphthalene-6,1Show More⌵

Mol. Formula:
C18H13N3O2

M.W.:
303.32

9 activity values

9 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
77.98

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA551076

Name:
2-Chloro-3-(diphenylamino)naphthalene-1,4-dione

Mol. Formula:
C22H14ClNO2

M.W.:
359.81

9 activity values

9 unique targets

Type:
Small molecule

AlogP:
5.35

Polar Surface Area:
37.38

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS