Compounds

Type:
---

AlogP:
3.80

Polar Surface Area:
61.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5220917

Name:
7-butyl-3-(3-chloro-4-(cyclopropylmethoxy)phenyl)-[1,2,4]triazolo[4,3-a]pyrShow More⌵

Mol. Formula:
C19H21ClN4O2

M.W.:
372.86

Type:
---

AlogP:
3.80

Polar Surface Area:
61.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5220838

Name:
3-(cyclopropylmethyl)-7-(1H-indol-5-yl)-8-(trifluoromethyl)-[1,2,4]triazoloShow More⌵

Mol. Formula:
C19H15F3N4

M.W.:
356.35

Type:
---

AlogP:
4.85

Polar Surface Area:
45.98

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5220552

Name:
7-butyl-3-(1H-indol-5-yl)-2-methylimidazo[1,2-a]pyrazin-8(7H)-one

Mol. Formula:
C19H20N4O

M.W.:
320.40

Type:
---

AlogP:
3.75

Polar Surface Area:
55.09

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5220484

Name:
7-(3-chloro-4-(cyclopropylmethoxy)phenyl)-3-(cyclopropylmethyl)-8-(trifluorShow More⌵

Mol. Formula:
C21H19ClF3N3O

M.W.:
421.85

Type:
---

AlogP:
5.81

Polar Surface Area:
39.42

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5220316

Name:
7-butyl-3-(3-chloro-4-(cyclopropylmethoxy)phenyl)-2-methylimidazo[1,2-a]pyrShow More⌵

Mol. Formula:
C21H24ClN3O2

M.W.:
385.90

Type:
---

AlogP:
4.71

Polar Surface Area:
48.53

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5219313

Name:
3-butyl-7-(3-chloro-4-(cyclopropylmethoxy)phenyl)imidazo[2,1-f][1,2,4]triazShow More⌵

Mol. Formula:
C19H21ClN4O2

M.W.:
372.86

Type:
---

AlogP:
3.80

Polar Surface Area:
61.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5219090

Name:
7-butyl-2-methyl-3-((4-phenylpiperidin-1-yl)methyl)imidazo[1,2-a]pyrazin-8(Show More⌵

Mol. Formula:
C46H60N8O2

M.W.:
757.04

Type:
---

AlogP:
3.98

Polar Surface Area:
42.54

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5219080

Name:
1-butyl-2-(3-chloro-4-(cyclopropylmethoxy)phenyl)imidazo[1,2-d][1,2,4]triazShow More⌵

Mol. Formula:
C19H21ClN4O2

M.W.:
372.86

Type:
---

AlogP:
3.80

Polar Surface Area:
61.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5093895

Name:
2-[(Bicyclo[2.2.1]heptan-2-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyraziShow More⌵

Mol. Formula:
C19H20F3N3O

M.W.:
363.38

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5093066

Name:
2-((4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methyl)-1-meShow More⌵

Mol. Formula:
C18H18ClF3N6

M.W.:
410.83

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
50.08

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5091768

Name:
2-(Cyclopropylmethyl)-6-(4-chlorophenyl)-3,4-dihydropyrazino-(1,2-a)bendmidShow More⌵

Mol. Formula:
C20H18ClN3O

M.W.:
351.84

Type:
Unknown

AlogP:
4.22

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5091657

Name:
6-Bromo-2-[(4-Bromo-2-fluorophenyl)methyl]-3,4-dihydropyrazino(1,2-a)henzimShow More⌵

Mol. Formula:
C17H12Br2FN3O

M.W.:
453.11

Type:
Unknown

AlogP:
4.36

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5090853

Name:
6-Bromo-2[(2-fluorophenyl)methyl]-3,4-dihydropyrazino(1,2-a)benzimidazol-1(Show More⌵

Mol. Formula:
C17H13BrFN3O

M.W.:
374.21

Type:
Unknown

AlogP:
3.59

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5090065

Name:
6-Bromo-2-[(6-chloropyridin-3-yl)methyl]-3,4-dihydropyrazino-[1,2-a]benzimiShow More⌵

Mol. Formula:
C16H12BrClN4O

M.W.:
391.66

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5089623

Name:
5-(2-Fluoro-4-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridShow More⌵

Mol. Formula:
C18H19FN2O3

M.W.:
330.36

12 activity values

4 unique targets

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
74.44

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5088821

Name:
6-Bromo-2-[(4-Chloro-2-fluorophenyl)methyl]-3,4-dihydropyrazino(1,2-a)henziShow More⌵

Mol. Formula:
C17H12BrClFN3O

M.W.:
408.66

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5086642

Name:
2-(Cyclobutylmethyl)-6-(trifluoromethyl)-3,4-dihydropyrazino-(1,2-a)benzimiShow More⌵

Mol. Formula:
C16H16F3N3O

M.W.:
323.32

23 activity values

9 unique targets

Type:
Unknown

AlogP:
3.31

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5085978

Name:
6-Bromo-2-[(4-Chlorophenyl)methyl]-3,4-dihydropyrazino(1,2-a)henzimidazol-1Show More⌵

Mol. Formula:
C17H13BrClN3O

M.W.:
390.67

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

MNI 137

Name:
4-(8-bromo-2-oxo-2,3-dihydro-1H-benzo[b][1,4]diazepin-4-yl)picolinonitrile

Mol. Formula:
C15H9BrN4O

M.W.:
341.17