Compounds

ALA5272538

Name:
2-((2'-(5-ethyl-3,4-diphenyl-1H-pyrazol-1-yl)-[1,1'-biphenyl]-3-yl)oxy)propShow More⌵

Mol. Formula:
C32H28N2O3

M.W.:
488.59

Type:
---

AlogP:
7.29

Polar Surface Area:
64.35

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5272220

Name:
4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-6-(trifluoromethyl)quinoliShow More⌵

Mol. Formula:
C22H19F3N6

M.W.:
424.43

Type:
---

AlogP:
5.09

Polar Surface Area:
70.59

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5272139

Name:
(5-chloro-3-hydroxyquinoxalin-2-yl)(2-(3,5-dichlorobenzyl)pyrrolidin-1-yl)mShow More⌵

Mol. Formula:
C20H16Cl3N3O2

M.W.:
436.73

Type:
---

AlogP:
5.14

Polar Surface Area:
66.32

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5270510

Name:
2-cyclohexyl-4-(2-methylpyridin-4-yl)-3-(1H-tetrazol-5-yl)-6-(trifluoromethShow More⌵

Mol. Formula:
C23H25F3N6

M.W.:
442.49

Type:
---

AlogP:
5.35

Polar Surface Area:
80.24

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5268944

Name:
6-chloro-N,N-diethyl-7-fluoro-4-phenyl-3-(1H-tetrazol-5-yl)quinolin-2-amine

Mol. Formula:
C20H18ClFN6

M.W.:
396.86

Type:
---

AlogP:
4.72

Polar Surface Area:
70.59

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5268623

Name:
6-chloro-7-fluoro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline

Mol. Formula:
C21H18ClFN6

M.W.:
408.87

Type:
---

AlogP:
4.86

Polar Surface Area:
70.59

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5282448

Name:
2-((2'-(5-ethyl-3,4-diphenyl-1H-pyrazol-1-yl)-[1,1'-biphenyl]-3-yl)oxy)butaShow More⌵

Mol. Formula:
C33H30N2O3

M.W.:
502.61

Type:
---

AlogP:
7.68

Polar Surface Area:
64.35

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5282369

Name:
(2-((3-chlorophenyl)(hydroxy)methyl)pyrrolidin-1-yl)(3-hydroxyquinoxalin-2-Show More⌵

Mol. Formula:
C20H18ClN3O3

M.W.:
383.83

Type:
---

AlogP:
3.33

Polar Surface Area:
86.55

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5281007

Name:
2-(1-methylcyclopentyl)-4-(2-methylpyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8Show More⌵

Mol. Formula:
C23H28N6

M.W.:
388.52

Type:
---

AlogP:
4.73

Polar Surface Area:
80.24

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5279837

Name:
2-((2'-(5-ethyl-4-(4-fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-[1,1'-biphenylShow More⌵

Mol. Formula:
C31H25FN2O3

M.W.:
492.55

Type:
---

AlogP:
7.04

Polar Surface Area:
64.35

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5279662

Name:
2-cyclohexyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyShow More⌵

Mol. Formula:
C22H26N6

M.W.:
374.49

Type:
---

AlogP:
4.64

Polar Surface Area:
80.24

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5279204

Name:
6-chloro-2-cyclopropyl-4-phenylquinoline-3-carboxylic acid

Mol. Formula:
C19H14ClNO2

M.W.:
323.78

Type:
---

AlogP:
5.13

Polar Surface Area:
50.19

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5278606

Name:
3-((3-(2-amino-2-oxoethyl)-1H-indol-1-yl)sulfonyl)thiophene-2-carboxylic acShow More⌵

Mol. Formula:
C15H12N2O5S2

M.W.:
364.40

Type:
---

AlogP:
1.67

Polar Surface Area:
119.46

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5278217

Name:
2-(1-(methoxymethyl)cyclopentyl)-6-pentyl-4-phenyl-3-(1H-tetrazol-5-yl)-5,6Show More⌵

Mol. Formula:
C28H37N5O

M.W.:
459.64

Type:
---

AlogP:
6.07

Polar Surface Area:
76.58

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5278127

Name:
2-cyclopentyl-6-methyl-4-(2-methylpyridin-4-yl)-3-(1H-tetrazol-5-yl)-5,6,7,Show More⌵

Mol. Formula:
C22H26N6

M.W.:
374.49

Type:
---

AlogP:
4.41

Polar Surface Area:
80.24

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5276452

Name:
benzyl (3-hydroxyquinoxaline-2-carbonyl)prolinate

Mol. Formula:
C21H19N3O4

M.W.:
377.40

Type:
---

AlogP:
2.68

Polar Surface Area:
92.62

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5274115

Name:
6-chloro-7-fluoro-2-(pentan-3-yl)-4-phenyl-3-(1H-tetrazol-5-yl)quinoline

Mol. Formula:
C21H19ClFN5

M.W.:
395.87

Type:
---

AlogP:
5.78

Polar Surface Area:
67.35

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5287082

Name:
(1-(4-(2-methylpyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cycShow More⌵

Mol. Formula:
C23H28N6O

M.W.:
404.52

Type:
---

AlogP:
3.71

Polar Surface Area:
100.47

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5287034

Name:
6-chloro-2-ethyl-4-phenylquinoline-3-carboxylic acid

Mol. Formula:
C18H14ClNO2

M.W.:
311.77

Type:
---

AlogP:
4.82

Polar Surface Area:
50.19

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5286983

Name:
(3-hydroxyquinoxalin-2-yl)(2-(piperidin-1-ylmethyl)pyrrolidin-1-yl)methanonShow More⌵

Mol. Formula:
C19H24N4O2

M.W.:
340.43

Type:
---

AlogP:
2.43

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS