Compounds

Type:
Unknown

AlogP:
2.81

Polar Surface Area:
53.09

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4474326

Name:
2-(6-Fluoro-1H-indol-1-yl)-N,N-dimethylethan-1-ami
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Mol. Formula:
C16H19FN2O4

M.W.:
322.34

Type:
Unknown

AlogP:
2.34

Polar Surface Area:
8.17

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA4520526

Name:
2-(9H-carbazol-9-yl)-N,N-dimethylethanamine

Cas Number:
7384-02-3

Mol. Formula:
C16H18N2

M.W.:
238.33

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
8.17

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4533886

Name:
(4aS,7aS)-methyl 7-((4-(3-trifluoromethylbenzyl)pi
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Mol. Formula:
C26H34Cl2F3N3O3

M.W.:
564.48

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
53.09

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4551804

Name:
(4aS,7aS)-methyl 7-((4-(3-methylbenzyl)piperazin-1
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Mol. Formula:
C24H33Cl2N3O3

M.W.:
482.45

Type:
Unknown

AlogP:
2.20

Polar Surface Area:
53.09

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4551313

Name:
2-(4-Fluoro-1H-indol-1-yl)-N,N-dimethylethan-1-ami
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Mol. Formula:
C16H19FN2O4

M.W.:
322.34

Type:
Unknown

AlogP:
2.34

Polar Surface Area:
8.17

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA4570019

Name:
(4aS,7aS)-methyl 7-((4-(3-methylbenzyl)piperazin-1
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Mol. Formula:
C26H37Cl2N3O3

M.W.:
510.51

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
53.09

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4568939

Name:
(4aS,7aS)-methyl 7-((4-benzylpiperazin-1-yl)methyl
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Mol. Formula:
C23H31Cl2N3O3

M.W.:
468.43

Type:
Unknown

AlogP:
1.90

Polar Surface Area:
53.09

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4567837

Name:
2-(7-(Benzyloxy)-1H-indol-1-yl)-N,N-dimethylethan-
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Mol. Formula:
C19H22N2O

M.W.:
294.40

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
17.40

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4580013

Name:
(4aS,7aS)-methyl 7-((4-(3-methoxybenzyl)piperazin-
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Mol. Formula:
C26H37Cl2N3O4

M.W.:
526.51

Type:
Unknown

AlogP:
2.68

Polar Surface Area:
62.32

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4578971

Name:
2-(5-(Benzyloxy)-1H-indol-1-yl)-N,N-dimethylethan-
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Mol. Formula:
C23H26N2O5

M.W.:
410.47

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
17.40

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4585237

Name:
(4aS,7aS)-methyl 7-((4-(4-chlorobenzyl)piperazin-1
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Mol. Formula:
C25H34Cl3N3O3

M.W.:
530.92

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
53.09

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4582687

Name:
(4aS,7aS)-methyl 7-((4-(4-fluorobenzyl)piperazin-1
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Mol. Formula:
C23H30Cl2FN3O3

M.W.:
486.42

15 activity values

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
53.09

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4459661

Name:
2-(7-Methoxy-1H-indol-1-yl)-N,N-dimethylethan-1-am
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Mol. Formula:
C17H22N2O5

M.W.:
334.37

Type:
Unknown

AlogP:
2.21

Polar Surface Area:
17.40

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4466286

Name:
(4aS,7aS)-methyl 7-((4-(4-nitrobenzyl)piperazin-1-
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Mol. Formula:
C23H30Cl2N4O5

M.W.:
513.42

Type:
Unknown

AlogP:
1.80

Polar Surface Area:
96.23

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4465660

Name:
2-(4-(Benzyloxy)-1H-indol-1-yl)-N,N-dimethylethan-
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Mol. Formula:
C23H26N2O5

M.W.:
410.47

Type:
Unknown

AlogP:
3.78

Polar Surface Area:
17.40

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4465234

Name:
2-(5-Methoxy-1H-indol-1-yl)-N,N-dimethylethan-1-am
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Mol. Formula:
C17H22N2O5

M.W.:
334.37

4 activity values

3 unique targets

Type:
Unknown

AlogP:
2.21

Polar Surface Area:
17.40

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4098949

Name:
(E)-Ethyl 3-(2-((E)-3,4-Dimethoxystyryl)-3-hydroxy
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Mol. Formula:
C22H24O6

M.W.:
384.43

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
74.22

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4097570

Name:
Ethyl (E)-3-(6-((E)-4-Methoxystyryl)benzo[d][1,3]d
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Mol. Formula:
C21H20O5

M.W.:
352.39