Compounds

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
42.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4540623

Name:
9-oxo-3-(phenylethynyl)-9H-indeno[1,2-b]pyrazine-2
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Mol. Formula:
C20H9N3O

M.W.:
307.31

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
66.64

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4537476

Name:
3-(cyclopropylethynyl)-9-oxo-9H-indeno[1,2-b]pyraz
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Mol. Formula:
C17H9N3O

M.W.:
271.28

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
66.64

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4524839

Name:
6,7,8,9-Tetrahydro-11H-indeno[1,2-b]quinoxalin-11-
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Mol. Formula:
C15H12N2O

M.W.:
236.27

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
42.85

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.60

DETAILS

ALA4569978

Name:
9-oxo-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile

Cas Number:
40114-84-9

Mol. Formula:
C13H4N4O

M.W.:
232.20

12 activity values

8 unique targets

Type:
Unknown

AlogP:
1.43

Polar Surface Area:
90.43

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4516637

Name:
3-amino-9-oxo-9H-indeno[1,2-b]pyrazine-2-carbonitr
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Mol. Formula:
C12H6N4O

M.W.:
222.21

6 activity values

Type:
Unknown

AlogP:
1.14

Polar Surface Area:
92.66

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4759087

Name:
2-((4-Fluoro-3-(trifluoromethyl)phenyl)amino)-3-((
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Mol. Formula:
C18H8F7NO2S

M.W.:
435.32

11 activity values

Type:
Unknown

AlogP:
5.80

Polar Surface Area:
46.17

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4579946

Name:
9-oxo-3-(prop-1-ynyl)-9H-indeno[1,2-b]pyrazine-2-c
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Mol. Formula:
C15H7N3O

M.W.:
245.24

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
66.64

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4778983

Name:
2-Chloro-3-((3-hydroxyphenyl)amino)naphthalene-1,4
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Mol. Formula:
C16H10ClNO3

M.W.:
299.71

3 unique targets

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
66.40

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4778793

Name:
4-(3-Hydroxylphenyl)-3,4-dihydrobenzo[h]quinoline-
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Mol. Formula:
C19H13NO4

M.W.:
319.32

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4778568

Name:
4-(3-Trifluoromethylphenyl)-3,4-dihydrobenzo[h]qui
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Mol. Formula:
C20H12F3NO3

M.W.:
371.31

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4777825

Name:
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrobenzo[h]q
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Mol. Formula:
C20H15NO5

M.W.:
349.34

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
92.70

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4776486

Name:
4-(2-Methylphenyl)-3,4-dihydrobenzo[h]quinoline-2,
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Mol. Formula:
C20H15NO3

M.W.:
317.34

Type:
Unknown

AlogP:
2.78

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4583430

Name:
3-(dimethylamino)-9-oxo-9H-indeno[1,2-b]pyrazine-2
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Mol. Formula:
C14H10N4O

M.W.:
250.26

3 unique targets

Type:
Unknown

AlogP:
1.63

Polar Surface Area:
69.88

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4782588

Name:
4-(2-Furyl)-3,4-dihydrobenzo[h]quinoline-2,5,6(1H)
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Mol. Formula:
C17H11NO4

M.W.:
293.28

Type:
Unknown

AlogP:
2.06

Polar Surface Area:
76.38

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4782503

Name:
4-(2,4-Diflorophenyl)-3,4-dihydrobenzo[h]quinoline
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Mol. Formula:
C19H11F2NO3

M.W.:
339.30

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4781550

Name:
4-(2-Chlorophenyl)-3,4-dihydrobenzo[h]quinoline-2,
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Mol. Formula:
C19H12ClNO3

M.W.:
337.76

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4781454

Name:
4-(4-Chlorophenyl)-3,4-dihydrobenzo[h]quinoline-2,
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Mol. Formula:
C19H12ClNO3

M.W.:
337.76

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4751251

Name:
2-(Ethylthio)-3-((3-(trifluoromethyl)phenyl)amino)
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Mol. Formula:
C19H14F3NO2S

M.W.:
377.39

8 activity values

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
46.17

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4795502

Name:
4-Isopropyl-3,4-dihydrobenzo[h]quinoline-2,5,6(1H)
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Mol. Formula:
C16H15NO3

M.W.:
269.30