Compounds

ALA4097011

Name:
4-Cyano-N-(1-ethyl-3-methyl-2-oxo-1,2-dihydroquino
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Mol. Formula:
C19H17N3O3S

M.W.:
367.43

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
91.96

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4089311

Name:
4-Cyano-2-fluoro-N-(1-methyl-2-oxo-1,2-dihydroquin
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Mol. Formula:
C17H12FN3O3S

M.W.:
357.37

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
91.96

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4087315

Name:
N-(7-methoxy-1,3-dimethyl-2-oxo-1,2-dihydroquinoli
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Mol. Formula:
C18H18N2O4S

M.W.:
358.42

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
77.40

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4086558

Name:
4-cyano-N-(3-isopropyl-1-methyl-2-oxo-1,2-dihydroq
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Mol. Formula:
C20H19N3O3S

M.W.:
381.46

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
91.96

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4084805

Name:
N-(7-methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-6-
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Mol. Formula:
C17H16N2O4S

M.W.:
344.39

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
77.40

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4064071

Name:
N-(4-cyanophenyl)-1-methyl-2-oxo-1,2-dihydroquinol
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Mol. Formula:
C17H13N3O3S

M.W.:
339.38

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
91.96

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4059962

Name:
4-cyano-N-(7-methoxy-1,3-dimethyl-2-oxo-1,2-dihydr
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Mol. Formula:
C19H17N3O4S

M.W.:
383.43

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.53

Polar Surface Area:
101.19

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4067917

Name:
4-cyano-N-(1,3-diethyl-2-oxo-1,2-dihydroquinolin-6
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Mol. Formula:
C21H21N3O4S

M.W.:
411.48

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
101.19

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4067538

Name:
6-(3-Hydroxypropyl)-2-(1-methyl-2-oxo-2,3-dihydro-
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Mol. Formula:
C23H19N3O4

M.W.:
401.42

21 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
95.40

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4105505

Name:
4-cyano-N-(8-fluoro-1,3-dimethyl-2-oxo-1,2-dihydro
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Mol. Formula:
C19H16FN3O4S

M.W.:
401.42

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
101.19

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3110363

Name:
tert-Butyl((6-(3-(N-Benzylsulfamoyl)phenyl)-[1,2,4
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Mol. Formula:
C28H28N6O4S

M.W.:
544.64

17 activity values

16 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
127.58

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS