Compounds

ALA61543

Name:
((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2H-quinolin-1-yl)-m-tolyl-Show More⌵

Mol. Formula:
C26H28N2O

M.W.:
384.52

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.20

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA294270

Name:
((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2H-quinolin-1-yl)-(3-triflShow More⌵

Mol. Formula:
C26H25F3N2O

M.W.:
438.49

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.91

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA416140

Name:
[(2R,4S)-6-Fluoro-4-(4-fluoro-phenylamino)-2-methyl-3,4-dihydro-2H-quinolinShow More⌵

Mol. Formula:
C24H22F2N2O

M.W.:
392.45

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA61240

Name:
(4-Methoxy-phenyl)-((2R,4S)-2-methyl-4-phenylamino-3,4-dihydro-2H-quinolin-Show More⌵

Mol. Formula:
C24H24N2O2

M.W.:
372.47

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.29

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA409553

Name:
((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoShow More⌵

Mol. Formula:
C26H28N2O2

M.W.:
400.52

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA291343

Name:
[(2R,4S)-6-Fluoro-4-(4-fluoro-phenylamino)-2-methyl-3,4-dihydro-2H-quinolinShow More⌵

Mol. Formula:
C24H22F2N2O2

M.W.:
408.45

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.57

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA58644

Name:
((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2H-quinolin-1-yl)-(3-fluorShow More⌵

Mol. Formula:
C25H25FN2O

M.W.:
388.49

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA292838

Name:
((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2H-quinolin-1-yl)-o-tolyl-Show More⌵

Mol. Formula:
C26H28N2O

M.W.:
384.52

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.20

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA264283

Name:
((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2H-quinolin-1-yl)-(2-methoShow More⌵

Mol. Formula:
C26H28N2O2

M.W.:
400.52

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA58056

Name:
((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2H-quinolin-1-yl)-(4-methoShow More⌵

Mol. Formula:
C26H28N2O2

M.W.:
400.52

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA60877

Name:
((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-quinolin-1-yl)-p-tolyl-methaShow More⌵

Mol. Formula:
C24H24N2O

M.W.:
356.47

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA291315

Name:
(4-Chloro-phenyl)-((2R,4S)-2,6-dimethyl-4-p-tolylamino-3,4-dihydro-2H-quinoShow More⌵

Mol. Formula:
C25H25ClN2O

M.W.:
404.94

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.55

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA57199

Name:
((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2H-quinolin-1-yl)-p-tolyl-Show More⌵

Mol. Formula:
C26H28N2O

M.W.:
384.52

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.20

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA57946

Name:
(3-Fluoro-phenyl)-((2R,4S)-2-methyl-4-phenylamino-3,4-dihydro-2H-quinolin-1Show More⌵

Mol. Formula:
C23H21FN2O

M.W.:
360.43

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA417218

Name:
((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-quinolin-1-yl)-(3-trifluoromShow More⌵

Mol. Formula:
C24H21F3N2O

M.W.:
410.44

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.30

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA294698

Name:
((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2H-quinolin-1-yl)-(2-fluorShow More⌵

Mol. Formula:
C25H25FN2O

M.W.:
388.49

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA59557

Name:
[(2R,4S)-6-Fluoro-4-(4-fluoro-phenylamino)-2-methyl-3,4-dihydro-2H-quinolinShow More⌵

Mol. Formula:
C24H19F5N2O

M.W.:
446.42

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.58

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA58731

Name:
[(2R,4S)-6-Fluoro-4-(4-fluoro-phenylamino)-2-methyl-3,4-dihydro-2H-quinolinShow More⌵

Mol. Formula:
C23H19F3N2O

M.W.:
396.41

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.70

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA294491

Name:
[(2R,4S)-6-Fluoro-4-(4-fluoro-phenylamino)-2-methyl-3,4-dihydro-2H-quinolinShow More⌵

Mol. Formula:
C24H22F2N2O

M.W.:
392.45

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA299257

Name:
((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-quinolin-1-yl)-(4-trifluoromShow More⌵

Mol. Formula:
C24H21F3N2O

M.W.:
410.44

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.30

Polar Surface Area:
32.34

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS