Compounds

Type:
Small molecule

AlogP:
6.17

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4090987

Name:
4-(5-chloro-2-hexyl-1-methyl-1H-indole-3-carbonyl)
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Mol. Formula:
C23H24ClNO3

M.W.:
397.90

Type:
Small molecule

AlogP:
5.88

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4081391

Name:
2-(1-(2-(5-chloro-2-hexyl-1-methyl-1H-indol-3-yl)-
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Mol. Formula:
C22H28ClNO3

M.W.:
389.92

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4084871

Name:
5-(5-chloro-1-methyl-2-undecyl-1H-indol-3-yl)-3-me
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Mol. Formula:
C26H38ClNO3

M.W.:
448.05

Type:
Small molecule

AlogP:
7.59

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4292357

Name:
(R)-5-(5-chloro-2-((R)-1-hydroxy-6-phenylhexyl)-1-
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Mol. Formula:
C27H32ClNO4

M.W.:
470.01

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
79.53

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4291464

Name:
(R)-5-(5-chloro-1-methyl-2-(6-phenylhexyl)-1H-indo
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Mol. Formula:
C27H32ClNO3

M.W.:
454.01

8 activity values

Type:
Small molecule

AlogP:
6.86

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4291346

Name:
5-(6-Chloro-2-(4-phenylbutyl)-1H-indol-1-yl)-3-met
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Mol. Formula:
C24H26ClNO3

M.W.:
411.93

Type:
Small molecule

AlogP:
6.00

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4287941

Name:
rac-5-(5-Chloro-1-methyl-2-(6-phenylhexyl)-1H-indo
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Mol. Formula:
C27H32ClNO3

M.W.:
454.01

6 activity values

Type:
Small molecule

AlogP:
6.86

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4287509

Name:
5-(5-Chloro-1-methyl-2-(3-phenylpropyl)-1H-indol-3
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Mol. Formula:
C24H26ClNO3

M.W.:
411.93

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4285167

Name:
(S)-5-(5-chloro-2-((R)-1-hydroxy-6-phenylhexyl)-1-
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Mol. Formula:
C27H32ClNO4

M.W.:
470.01

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
79.53

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4284672

Name:
5-(5-Chloro-1-methyl-2-(5-phenylpentyl)-1H-indol-3
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Mol. Formula:
C26H30ClNO3

M.W.:
439.98

Type:
Small molecule

AlogP:
6.47

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4283608

Name:
(S)-5-(5-Chloro-1-methyl-2-(6-phenylhexyl)-1H-indo
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Mol. Formula:
C27H32ClNO3

M.W.:
454.01

30 activity values

Type:
Small molecule

AlogP:
6.86

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4282356

Name:
rac-5-(6-chloro-2-(5-phenylpentyl)-1H-indol-1-yl)-
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Mol. Formula:
C25H28ClNO3

M.W.:
425.96

6 activity values

Type:
Small molecule

AlogP:
6.39

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4281149

Name:
(S)-5-(5-chloro-2-((S)-1-hydroxy-6-phenylhexyl)-1-
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Mol. Formula:
C27H32ClNO4

M.W.:
470.01

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
79.53

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4280693

Name:
5-(6-Chloro-2-(3-phenylpropyl)-1H-indol-1-yl)-3-me
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Mol. Formula:
C23H24ClNO3

M.W.:
397.90

Type:
Small molecule

AlogP:
5.61

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4279605

Name:
5-(5-Chloro-1-methyl-2-(4-phenylbutyl)-1H-indol-3-
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Mol. Formula:
C25H28ClNO3

M.W.:
425.96

Type:
Small molecule

AlogP:
6.08

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4278772

Name:
5-(5-Chloro-1-methyl-2-(6,6,6-trifluorohexyl)-1Hin
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Mol. Formula:
C21H25ClF3NO3

M.W.:
431.88

Type:
Small molecule

AlogP:
6.18

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4277299

Name:
5-(6-Chloro-2-(6-phenylhexyl)-1H-indol-1-yl)-3-met
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Mol. Formula:
C26H30ClNO3

M.W.:
439.98

Type:
Small molecule

AlogP:
6.78

Polar Surface Area:
59.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4277207

Name:
(R)-5-(5-chloro-2-((S)-1-hydroxy-6-phenylhexyl)-1-
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Mol. Formula:
C27H32ClNO4

M.W.:
470.01

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
79.53

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4130040

Name:
Methyl (6E,8Z,11Z,14Z,17Z)-5-oxo-6,8,11,14-eicosap
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Mol. Formula:
C21H30O3

M.W.:
330.47

2 activity values