Compounds

2 unique targets

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4590614

Name:
4-(Furan-2-yl)-2-methyl-5-oxo-N-(o-tolyl)-5,6,7,8-tetrahydroquinoline-3-carShow More⌵

Mol. Formula:
C22H20N2O3

M.W.:
360.41

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
72.20

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4585373

Name:
5-Benzoyl-4-isobutyl-2,6-dimethyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxaShow More⌵

Mol. Formula:
C26H30N2O2

M.W.:
402.54

Type:
Unknown

AlogP:
5.63

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4584743

Name:
2-Methyl-5-oxo-4-butyl-N-(o-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxaShow More⌵

Mol. Formula:
C22H28N2O2

M.W.:
352.48

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4581781

Name:
N-(2,5-Dichlorophenyl)-2-methyl-5-oxo-4-(thiazol-2-yl)-1,4,5,6,7,8-hexahydrShow More⌵

Mol. Formula:
C20H17Cl2N3O2S

M.W.:
434.35

5 activity values

3 unique targets

Type:
Unknown

AlogP:
5.06

Polar Surface Area:
71.09

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4579352

Name:
N-(2,5-Dichlorophenyl)-2-methyl-5-oxo-4-(thiazol-4-yl)-1,4,5,6,7,8-hexahydrShow More⌵

Mol. Formula:
C20H17Cl2N3O2S

M.W.:
434.35

2 unique targets

Type:
Unknown

AlogP:
5.06

Polar Surface Area:
71.09

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4578663

Name:
2-Methyl-5-oxo-4-phenyl-N-(o-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxShow More⌵

Mol. Formula:
C24H24N2O2

M.W.:
372.47

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4576898

Name:
tert-Butyl 4-((3-((2,5-dichlorophenyl)carbamoyl)-2-methyl-5-oxo-1,4,5,6,7,8Show More⌵

Mol. Formula:
C28H35Cl2N3O4

M.W.:
548.51

Type:
Unknown

AlogP:
6.47

Polar Surface Area:
87.74

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4574477

Name:
4-(3-Bromophenyl)-2-methyl-5-oxo-N-(o-tolyl)-1,4,5,6,7,8-hexahydroquinolineShow More⌵

Mol. Formula:
C24H23BrN2O2

M.W.:
451.36

Type:
Unknown

AlogP:
5.36

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4570341

Name:
2-Methyl-5-oxo-4-(thiophen-2-yl)-N-(o-tolyl)-1,4,5,6,7,8-hexahydroquinolineShow More⌵

Mol. Formula:
C22H22N2O2S

M.W.:
378.50

5 activity values

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
58.20

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4569894

Name:
4-Cyclohexyl-2-methyl-5-oxo-N-(o-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-caShow More⌵

Mol. Formula:
C24H30N2O2

M.W.:
378.52

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4569482

Name:
4-(3-furyl)-2-methyl-N-(o-tolyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-caShow More⌵

Mol. Formula:
C22H22N2O3

M.W.:
362.43

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
71.34

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4567938

Name:
2-Methyl-5-oxo-4-phenethyl-N-(o-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carShow More⌵

Mol. Formula:
C26H28N2O2

M.W.:
400.52

3 activity values

Type:
Unknown

AlogP:
5.07

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4567723

Name:
N-(2,5-Dichlorophenyl)-2-methyl-4-(oxazol-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroShow More⌵

Mol. Formula:
C20H17Cl2N3O3

M.W.:
418.28

5 activity values

3 unique targets

Type:
Unknown

AlogP:
4.59

Polar Surface Area:
84.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4567192

Name:
4-(Furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinShow More⌵

Mol. Formula:
C22H22N2O4

M.W.:
378.43

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
80.57

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

AR 420626

Name:
N-(2,5-dichlorophenyl)-4-(2-furyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quiShow More⌵

Mol. Formula:
C21H18Cl2N2O3

M.W.:
417.29

20 activity values

9 unique targets

Type:
Unknown

AlogP:
5.19

Polar Surface Area:
71.34

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4560915

Name:
5-Cyano-4-isobutyl-2,6-dimethyl-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamiShow More⌵

Mol. Formula:
C20H25N3O

M.W.:
323.44

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
64.92

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4560771

Name:
N-(2-Iodophenyl)-4-isobutyl-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3Show More⌵

Mol. Formula:
C21H25IN2O2

M.W.:
464.35