Compounds

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
102.91

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2364537

Name:
2-[[3-[2-[[2-(2H-Tetrazol-5-yl)phenyl]methyl]-2H-tetrazol-5-yl]phenoxy]methShow More⌵

Mol. Formula:
C26H20N9NaO

M.W.:
497.50

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
120.18

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA557924

Name:
3-(5-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrido[4,3-bShow More⌵

Mol. Formula:
C32H26ClN3O3

M.W.:
536.03

Type:
Small molecule

AlogP:
6.42

Polar Surface Area:
75.43

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA554154

Name:
2-(1-((5-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrido[4Show More⌵

Mol. Formula:
C35H32ClN3O2

M.W.:
562.11

Type:
Small molecule

AlogP:
7.67

Polar Surface Area:
58.36

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA541010

Name:
3-(5-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-6-ethoxy-3,4-dihydro-1H-pyrShow More⌵

Mol. Formula:
C34H32ClN3O3

M.W.:
566.10

Type:
Small molecule

AlogP:
7.29

Polar Surface Area:
67.59

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA564275

Name:
3-(5-(3-(2-(2,3-dichlorothieno[3,2-b]pyridin-5-yl)vinyl)benzyl)-3,4-dihydroShow More⌵

Mol. Formula:
C30H25Cl2N3O2S

M.W.:
562.52

Type:
Small molecule

AlogP:
7.61

Polar Surface Area:
58.36

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA562930

Name:
3-(9-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-9H-carbazol-3-yl)propanoic Show More⌵

Mol. Formula:
C33H25ClN2O2

M.W.:
517.03

Type:
Small molecule

AlogP:
8.23

Polar Surface Area:
55.12

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA557105

Name:
4-(9-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-4,4a-dihydro-1H-pyrido[3,4-Show More⌵

Mol. Formula:
C33H32ClN3O2

M.W.:
538.09

Type:
Small molecule

AlogP:
7.10

Polar Surface Area:
56.67

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA556420

Name:
3-(5-(3-(2-(6,7-difluoroquinolin-2-yl)vinyl)benzyl)-7-fluoro-3,4-dihydro-1HShow More⌵

Mol. Formula:
C32H26F3N3O2

M.W.:
541.57

2 activity values

Type:
Small molecule

AlogP:
6.66

Polar Surface Area:
58.36

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA558638

Name:
3-(5-(3-(2-(7-chloro-6-fluoroquinolin-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrShow More⌵

Mol. Formula:
C32H27ClFN3O2

M.W.:
540.04

Type:
Small molecule

AlogP:
7.03

Polar Surface Area:
58.36

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA558443

Name:
3-(5-(3-(2-(7-fluoroquinolin-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrido[4,3-bShow More⌵

Mol. Formula:
C32H28FN3O2

M.W.:
505.59

Type:
Small molecule

AlogP:
6.38

Polar Surface Area:
58.36

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA557850

Name:
3-(9-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-4,4a-dihydro-1H-pyrido[3,4-Show More⌵

Mol. Formula:
C32H30ClN3O2

M.W.:
524.06

Type:
Small molecule

AlogP:
6.71

Polar Surface Area:
56.67

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA551520

Name:
3-(5-(3-(2-(6,7-difluoroquinolin-2-yl)vinyl)benzyl)-9-fluoro-3,4-dihydro-1HShow More⌵

Mol. Formula:
C32H26F3N3O2

M.W.:
541.57

4 activity values

Type:
Small molecule

AlogP:
6.66

Polar Surface Area:
58.36

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA549700

Name:
4-(1-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-1H-indol-3-yl)butanoic acid

Mol. Formula:
C30H25ClN2O2

M.W.:
481.00

Type:
Small molecule

AlogP:
7.47

Polar Surface Area:
55.12

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA554691

Name:
3-((2-(1-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-1H-indol-3-yl)ethyl)(meShow More⌵

Mol. Formula:
C32H30ClN3O2

M.W.:
524.06

Type:
Small molecule

AlogP:
7.01

Polar Surface Area:
58.36

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA551923

Name:
3-(5-(3-((7-chloroquinolin-2-yl)methoxy)benzyl)-3,4-dihydro-1H-pyrido[4,3-bShow More⌵

Mol. Formula:
C31H28ClN3O3

M.W.:
526.04

Type:
Small molecule

AlogP:
6.30

Polar Surface Area:
67.59

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA555910

Name:
4-((5-(3-(2-(6,7-difluoroquinolin-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrido[Show More⌵

Mol. Formula:
C37H29F2N3O2

M.W.:
585.65

Type:
Small molecule

AlogP:
7.94

Polar Surface Area:
58.36

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA550458

Name:
2-(5-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrido[4,3-bShow More⌵

Mol. Formula:
C31H26ClN3O2

M.W.:
508.02

Type:
Small molecule

AlogP:
6.50

Polar Surface Area:
58.36

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA550859

Name:
3-(5-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-8-methoxy-3,4-dihydro-1H-pyShow More⌵

Mol. Formula:
C33H30ClN3O3

M.W.:
552.07

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.90

Polar Surface Area:
67.59

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA565228

Name:
3-(5-(3-(2-(5-chlorobenzo[d]thiazol-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyridShow More⌵

Mol. Formula:
C30H26ClN3O2S

M.W.:
528.08