Compounds

ALA5271453

Name:
3-oxo-2-(pyridin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)-6-(4-(trifluoromShow More⌵

Mol. Formula:
C20H14F6N4O4

M.W.:
488.34

Type:
---

AlogP:
2.85

Polar Surface Area:
106.34

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5271031

Name:
N-(4-fluorophenyl)-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxamide

Mol. Formula:
C17H13FN2O2

M.W.:
296.30

Type:
---

AlogP:
2.93

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA5270440

Name:
(5R)-1,5-dimethyl-2-oxo-N-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamiShow More⌵

Mol. Formula:
C18H20N2O2

M.W.:
296.37

Type:
---

AlogP:
3.08

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5270280

Name:
N-(5-fluoro-1,3-thiazol-2-yl)-1,5-dimethyl-2-oxo-1H,2H,5H,6H,7H-cyclopenta[Show More⌵

Mol. Formula:
C14H14FN3O2S

M.W.:
307.35

Type:
---

AlogP:
2.28

Polar Surface Area:
63.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5269910

Name:
N-(4-fluorophenyl)-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxShow More⌵

Mol. Formula:
C18H13FN2O2

M.W.:
308.31

Type:
---

AlogP:
2.95

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5281742

Name:
(R)-N-(1-hydroxypropan-2-yl)-2-(pyridin-3-yl)-6-(4-(trifluoromethoxy)phenylShow More⌵

Mol. Formula:
C20H17F3N4O3

M.W.:
418.38

Type:
---

AlogP:
3.21

Polar Surface Area:
97.23

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5280290

Name:
N-(4-methoxyphenyl)-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxamide

Mol. Formula:
C18H16N2O3

M.W.:
308.34

Type:
---

AlogP:
2.80

Polar Surface Area:
60.33

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5280174

Name:
(R)-N-(2-(5-fluoropyridin-3-yl)-8-isopropylpyrazolo[1,5-a][1,3,5]triazin-4-Show More⌵

Mol. Formula:
C25H27Cl3FN7

M.W.:
550.90

Type:
---

AlogP:
4.90

Polar Surface Area:
83.79

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5278759

Name:
Brevifolincarboxylic acid

Mol. Formula:
C13H8O8

M.W.:
292.20

Type:
---

AlogP:
0.66

Polar Surface Area:
145.27

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5275365

Name:
N-(5-fluoropyridin-2-yl)-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxamide

Mol. Formula:
C16H12FN3O2

M.W.:
297.29

Type:
---

AlogP:
2.32

Polar Surface Area:
63.99

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5274394

Name:
(6R)-1,6-dimethyl-2-oxo-N-phenyl-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carShow More⌵

Mol. Formula:
C17H18N2O2

M.W.:
282.34

Type:
---

AlogP:
2.37

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.92

DETAILS

ALA5285977

Name:
1-methyl-2-oxo-N-(p-tolyl)-1,2-dihydroquinoline-3-carboxamide

Mol. Formula:
C18H16N2O2

M.W.:
292.34

Type:
---

AlogP:
3.10

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5284079

Name:
(6S)-1,6-dimethyl-2-oxo-N-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamiShow More⌵

Mol. Formula:
C18H20N2O2

M.W.:
296.37

Type:
---

AlogP:
2.76

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.93

DETAILS

ALA5289699

Name:
9H-benzo[h]quinolino[4,3,2-de][1,6]naphthyridine

Mol. Formula:
C18H11N3

M.W.:
269.31

Type:
---

AlogP:
4.51

Polar Surface Area:
37.81

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5287208

Name:
2,3,7-Trimethylindole

Mol. Formula:
C11H13N

M.W.:
159.23

Type:
---

AlogP:
3.09

Polar Surface Area:
15.79

HBA:
---

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5267667

Name:
Pityriazepin

Mol. Formula:
C21H15N3O

M.W.:
325.37

Type:
---

AlogP:
4.15

Polar Surface Area:
61.54

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5267272

Name:
N-(4-fluorophenyl)-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamiShow More⌵

Mol. Formula:
C16H12FN3O2

M.W.:
297.29

Type:
---

AlogP:
2.32

Polar Surface Area:
63.99

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5266911

Name:
6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)-3-oxo-2,3-diShow More⌵

Mol. Formula:
C20H17ClFN3O3

M.W.:
401.83

Type:
---

AlogP:
2.80

Polar Surface Area:
84.22

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5266782

Name:
(5S)-1,5-dimethyl-2-oxo-N-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamiShow More⌵

Mol. Formula:
C18H20N2O2

M.W.:
296.37

Type:
---

AlogP:
3.08

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5265853

Name:
(5R)-N-(1H-indol-2-yl)-1,5-dimethyl-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridShow More⌵

Mol. Formula:
C19H19N3O2

M.W.:
321.38

Type:
---

AlogP:
3.17

Polar Surface Area:
66.89

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS