Compounds

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
91.56

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4648288

Name:
ethyl 4-(benzylselanyl)-6-bromoquinoline-2-carboxy
Show More⌵

Mol. Formula:
C19H16BrNO2Se

M.W.:
449.21

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4647121

Name:
2-(2,6-dichlorophenyl)-6-methoxy-4-(phenylselanyl)
Show More⌵

Mol. Formula:
C22H15Cl2NOSe

M.W.:
459.23

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4647078

Name:
ethyl 6-chloro-4-(6-methoxynaphthalen-2-ylselanyl)
Show More⌵

Mol. Formula:
C23H18ClNO3Se

M.W.:
470.81

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4646292

Name:
ethyl 6-chloro-4-(phenylselanyl)quinoline-2-carbox
Show More⌵

Mol. Formula:
C18H14ClNO2Se

M.W.:
390.73

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4645980

Name:
ethyl 4-(benzylselanyl)-6-chloroquinoline-2-carbox
Show More⌵

Mol. Formula:
C19H16ClNO2Se

M.W.:
404.76

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4644933

Name:
ethyl 6-methoxy-4-(6-methoxynaphthalen-2-ylselanyl
Show More⌵

Mol. Formula:
C24H21NO4Se

M.W.:
466.40

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4644482

Name:
ethyl 6-methoxy-4-(4-methoxyphenylselanyl)quinolin
Show More⌵

Mol. Formula:
C20H19NO4Se

M.W.:
416.34

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4642799

Name:
ethyl 4-(benzylselanyl)-6-methoxyquinoline-2-carbo
Show More⌵

Mol. Formula:
C20H19NO3Se

M.W.:
400.34

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4641969

Name:
ethyl 6-bromo-4-(phenylselanyl)quinoline-2-carboxy
Show More⌵

Mol. Formula:
C18H14BrNO2Se

M.W.:
435.18

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4641397

Name:
ethyl 6-methoxy-4-(phenylselanyl)quinoline-2-carbo
Show More⌵

Mol. Formula:
C19H17NO3Se

M.W.:
386.31

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4640915

Name:
ethyl 4-(hex-1-ynyl)-6-methoxyquinoline-2-carboxyl
Show More⌵

Mol. Formula:
C19H21NO3

M.W.:
311.38

30 activity values

6 unique targets

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
48.42

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4640650

Name:
ethyl 4-(4-hydroxybut-1-ynyl)-6-methoxyquinoline-2
Show More⌵

Mol. Formula:
C17H17NO4

M.W.:
299.33

Type:
Unknown

AlogP:
2.15

Polar Surface Area:
68.65

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4640351

Name:
4-(6-methoxy-4-(4-methoxyphenylselanyl)quinolin-2-
Show More⌵

Mol. Formula:
C23H19NO3Se

M.W.:
436.37

13 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4639816

Name:
ethyl 4-(4-fluorophenylselanyl)-6-methoxyquinoline
Show More⌵

Mol. Formula:
C19H16FNO3Se

M.W.:
404.30

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4638059

Name:
6-methoxy-4-(phenylselanyl)-2-(thiophen-2-yl)quino
Show More⌵

Mol. Formula:
C20H15NOSSe

M.W.:
396.37

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4637708

Name:
ethyl 4-((4-aminophenyl)ethynyl)-6-methoxyquinolin
Show More⌵

Mol. Formula:
C21H18N2O3

M.W.:
346.39

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
74.44

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4636701

Name:
2-(2,6-dimethylphenyl)-6-methoxy-4-(phenylselanyl)
Show More⌵

Mol. Formula:
C24H21NOSe

M.W.:
418.40

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4635812

Name:
ethyl 4-(phenylselanyl)quinoline-2-carboxylate

Mol. Formula:
C18H15NO2Se

M.W.:
356.28

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4634988

Name:
ethyl 6-methoxy-4-(phenyltellanyl)quinoline-2-carb
Show More⌵

Mol. Formula:
C19H17NO3Te

M.W.:
434.95