Compounds

ALA4534417

Name:
8-aminobenzo[b]quinolizinium bromide

Mol. Formula:
C13H11BrN2

M.W.:
275.15

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
30.12

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.33

DETAILS

ALA4861332

Name:
4-chloro-N-((R)-1-((1R,3S,5S,6r)-3-(5,6-difluoro-1
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Mol. Formula:
C23H22ClF2N3O

M.W.:
429.90

72 activity values

6 unique targets

Type:
Unknown

AlogP:
5.37

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4858888

Name:
N-(4-Chlorophenyl)-2-((1R,3s,5S,6r)-3-(5,6-difluor
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Mol. Formula:
C22H20ClF2N3O

M.W.:
415.87

41 activity values

10 unique targets

Type:
Unknown

AlogP:
4.98

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4856710

Name:
N-(4-Chlorophenyl)-2-((1R,3s,5S,6r)-3-((6-fluoroqu
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Mol. Formula:
C24H22ClFN2O

M.W.:
408.90

25 activity values

6 unique targets

Type:
Unknown

AlogP:
5.59

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5279869

Name:
N-(p-tolyl)benzo[b]quinolizin-5-ium-9-amine bromid
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Mol. Formula:
C20H17BrN2

M.W.:
365.27

Type:
---

AlogP:
4.63

Polar Surface Area:
16.13

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4855340

Name:
(S)-N-(4-chlorophenyl)-2-((1s,4R)-4-(6-fluoroquino
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Cas Number:
2227198-92-5

Mol. Formula:
C24H24ClFN2O

M.W.:
410.92

33 activity values

6 unique targets

Type:
Unknown

AlogP:
6.58

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4853212

Name:
(S)-6,6-dimethyl-8-(7-(trifluoromethyl)imidazo[1,5
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Cas Number:
2239305-70-3

Mol. Formula:
C17H18F3N5O2

M.W.:
381.36

19 activity values

6 unique targets

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
78.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4870435

Name:
(R)-6,6-dimethyl-8-(7-(trifluoromethyl)imidazo[1,5
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Cas Number:
2239305-67-8

Mol. Formula:
C17H18F3N5O2

M.W.:
381.36

19 activity values

6 unique targets

Type:
Unknown

AlogP:
2.17

Polar Surface Area:
78.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5290135

Name:
N4-benzo[b]quinolizin-5-ium-9-yl-N1,N1-dimethyl-be
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Mol. Formula:
C21H20BrN3

M.W.:
394.32

Type:
---

AlogP:
4.39

Polar Surface Area:
19.37

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5289728

Name:
N-(3-chlorophenyl)benzo[b]quinolizin-5-ium-9-amine
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Mol. Formula:
C19H14BrClN2

M.W.:
385.69

Type:
---

AlogP:
4.98

Polar Surface Area:
16.13

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5276200

Name:
N-phenylbenzo[b]quinolizin-5-ium-9-amine bromide

Mol. Formula:
C19H15BrN2

M.W.:
351.25

Type:
---

AlogP:
4.32

Polar Surface Area:
16.13

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5267266

Name:
N-(4-methoxyphenyl)benzo[b]quinolizin-5-ium-9-amin
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Mol. Formula:
C20H17BrN2O

M.W.:
381.27

Type:
---

AlogP:
4.33

Polar Surface Area:
25.36

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5267145

Name:
N-(4-chlorophenyl)benzo[b]quinolizin-5-ium-9-amine
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Mol. Formula:
C19H14BrClN2

M.W.:
385.69

Type:
---

AlogP:
4.98

Polar Surface Area:
16.13

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5266877

Name:
2-[(1R,3R)-7-methoxy-1-methyl-5,10-dioxo-3,4-dihyd
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Mol. Formula:
C17H16O6

M.W.:
316.31

Type:
---

AlogP:
2.02

Polar Surface Area:
89.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5266560

Name:
N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine
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Mol. Formula:
C19H14BrFN2

M.W.:
369.24

Type:
---

AlogP:
4.46

Polar Surface Area:
16.13

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1623628

Name:
1-(2,3-dimethyl-1H-indol-1-yl)-3-(phenylamino)prop
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Cas Number:
397882-20-1

Mol. Formula:
C19H22N2O

M.W.:
294.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
37.19

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS