Compounds

ALA5272181

Name:
(R)-6-(3-(4-bromophenyl)-1-(hydroxyimino)-3-(o-tolyl)propyl)-2-methylpyridaShow More⌵

Mol. Formula:
C21H20BrN3O2

M.W.:
426.31

Type:
---

AlogP:
4.25

Polar Surface Area:
67.48

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5271905

Name:
3-((4-chloro-2-fluorobenzyl)amino)-2-(5-chloropyridin-3-yl)pyrido[2,3-d]pyrShow More⌵

Mol. Formula:
C19H12Cl2FN5O

M.W.:
416.24

Type:
---

AlogP:
4.04

Polar Surface Area:
72.70

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5270998

Name:
3-(4-chlorophenethyl)-2-(4-fluorophenyl)pteridin-4(3H)-one

Mol. Formula:
C20H14ClFN4O

M.W.:
380.81

Type:
---

AlogP:
3.89

Polar Surface Area:
60.67

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5270816

Name:
(4-((6-chloro-3-methylbenzo[d]isoxazol-5-yl)oxy)pyridin-3-yl)(4-cyclopropylShow More⌵

Mol. Formula:
C25H21ClN4O3

M.W.:
460.92

Type:
---

AlogP:
5.61

Polar Surface Area:
71.70

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5270683

Name:
2-(3-chloro-4-((4-(1-(4-(3-chloro-2-methylphenoxy)butanoyl)-1,2,3,4-tetrahyShow More⌵

Mol. Formula:
C33H33Cl2FN4O6S

M.W.:
703.62

Type:
---

AlogP:
6.11

Polar Surface Area:
130.83

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5270025

Name:
1-(1-isopropyl-6-(thiophen-3-yl)-1H-indazol-5-yl)-N-(4-(trifluoromethyl)benShow More⌵

Mol. Formula:
C23H22F3N3S

M.W.:
429.51

Type:
---

AlogP:
6.65

Polar Surface Area:
29.85

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5269193

Name:
2-((2-(2-chloro-6-fluorophenoxy)ethyl)thio)-5-(2-(3,4-dimethoxyphenyl)propaShow More⌵

Mol. Formula:
C28H27ClF2N2O3S

M.W.:
545.05

Type:
---

AlogP:
7.32

Polar Surface Area:
45.51

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5268940

Name:
(2S,4R)-4-((3R,5R,10S,13R,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cycShow More⌵

Mol. Formula:
C25H42O3

M.W.:
390.61

Type:
---

AlogP:
5.75

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5268028

Name:
5-(2-chloro-3,5-bis(trifluoromethyl)phenyl)-4-((4-(2-fluorophenyl)pyridin-3Show More⌵

Mol. Formula:
C26H15ClF7N3O2

M.W.:
569.86

Type:
---

AlogP:
8.06

Polar Surface Area:
50.86

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5282482

Name:
2-(4-bromophenyl)-N-((2-(thiophen-3-yl)-1,7-naphthyridin-3-yl)methyl)ethan-Show More⌵

Mol. Formula:
C21H18BrN3S

M.W.:
424.37

Type:
---

AlogP:
5.45

Polar Surface Area:
37.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5281639

Name:
5-((R)-1-(hydroxyimino)-3-(4-(methylsulfonyl)phenyl)-3-(o-tolyl)propyl)-1-mShow More⌵

Mol. Formula:
C23H28N2O4S

M.W.:
428.55

Type:
---

AlogP:
3.62

Polar Surface Area:
87.04

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5280905

Name:
N-(2-chloro-4-fluorophenyl)-N-(2-cyano-4-fluorophenyl)-2-(isoquinolin-5-yloShow More⌵

Mol. Formula:
C24H14ClF2N3O2

M.W.:
449.84

Type:
---

AlogP:
5.78

Polar Surface Area:
66.22

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5280567

Name:
(3-(2,5-dichlorophenoxy)pyridin-4-yl)(3,4-dihydroquinolin-1(2H)-yl)methanonShow More⌵

Mol. Formula:
C21H16Cl2N2O2

M.W.:
399.28

Type:
---

AlogP:
5.77

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5278768

Name:
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(2,4-difluorophenyl)-5-[(3,Show More⌵

Mol. Formula:
C24H19ClF3N3O2S

M.W.:
505.95

Type:
---

AlogP:
6.24

Polar Surface Area:
49.17

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5277271

Name:
1-(6-(thiophen-3-yl)thieno[2,3-b]pyridin-5-yl)-N-(4-(trifluoromethyl)benzylShow More⌵

Mol. Formula:
C20H15F3N2S2

M.W.:
404.48

Type:
---

AlogP:
6.33

Polar Surface Area:
24.92

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5276894

Name:
5-(3,5-bis(trifluoromethyl)phenyl)-4-((4-(2-fluorophenyl)pyridin-3-yl)methyShow More⌵

Mol. Formula:
C26H16F7N3O2

M.W.:
535.42

Type:
---

AlogP:
7.41

Polar Surface Area:
50.86

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5274626

Name:
5-(3,5-bis(trifluoromethyl)phenyl)-4-((4-(2-fluorophenyl)pyridin-3-yl)methyShow More⌵

Mol. Formula:
C28H18F7N3O

M.W.:
545.46

Type:
---

AlogP:
7.82

Polar Surface Area:
37.72

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5274061

Name:
3-(2-(3,4-dimethoxyphenyl)propan-2-yl)-4-(4-fluorophenyl)-5-((2-(4-(4-(thioShow More⌵

Mol. Formula:
C34H32FN5O3S2

M.W.:
641.79

Type:
---

AlogP:
7.83

Polar Surface Area:
76.22

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5273628

Name:
(3,5-bis(trifluoromethyl)phenyl)(6-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazShow More⌵

Mol. Formula:
C23H16F6N2O2

M.W.:
466.38

Type:
---

AlogP:
5.82

Polar Surface Area:
42.43

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5286933

Name:
3-((2-oxa-6-azaspiro[3.3]heptan-6-yl)sulfonyl)-N-(4-(4-fluoro-2-methoxyphenShow More⌵

Mol. Formula:
C26H23F4N3O5S

M.W.:
565.55

Type:
---

AlogP:
4.21

Polar Surface Area:
89.04

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS