Compounds

Type:
Unknown

AlogP:
5.54

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4514341

Name:
4-(4-Hydroxyphenyl)-2-phenyl-5H-indeno[1,2-b]pyrid
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Mol. Formula:
C24H17NO2

M.W.:
351.41

Type:
Unknown

AlogP:
5.40

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4483767

Name:
(1E,4E)-6-(1-(hexylthio)nonyl)-5,8-dimethoxy-1,4-n
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Mol. Formula:
C27H42N2O4S

M.W.:
490.71

Type:
Unknown

AlogP:
7.74

Polar Surface Area:
83.64

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4483353

Name:
(1E,4E)-6-(1-(hexylthio)undecyl)-5,8-dimethoxy-1,4
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Mol. Formula:
C29H46N2O4S

M.W.:
518.76

Type:
Unknown

AlogP:
8.52

Polar Surface Area:
83.64

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4476855

Name:
2-(3-Fluorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1
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Mol. Formula:
C24H16FNO2

M.W.:
369.39

Type:
Unknown

AlogP:
5.54

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4475893

Name:
2-(4-Trifluorophenyl)-4-(2-hydroxyphenyl)-5H-inden
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Mol. Formula:
C25H16F3NO2

M.W.:
419.40

Type:
Unknown

AlogP:
6.42

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4475466

Name:
4-(2-Chlorophenyl)-2-(2-hydroxyphenyl)-5H-indeno[1
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Mol. Formula:
C24H16ClNO2

M.W.:
385.85

Type:
Unknown

AlogP:
6.05

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4474958

Name:
2,4-Diphenyl-5H-indeno[1,2-b]pyridin-7-ol

Mol. Formula:
C24H17NO

M.W.:
335.41

Type:
Unknown

AlogP:
5.69

Polar Surface Area:
33.12

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4474837

Name:
4-(2-Chlorophenyl)-2-(2-hydroxyphenyl)-5H-indeno[1
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Mol. Formula:
C24H16ClNO2

M.W.:
385.85

Type:
Unknown

AlogP:
6.05

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4540173

Name:
(1E,4E)-6-(1-(isopentylsulfonyl)heptyl)-5,8-dimeth
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Mol. Formula:
C24H36N2O6S

M.W.:
480.63

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
117.78

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4540062

Name:
4-(3-Chlorophenyl)-2-(2-hydroxyphenyl)-5H-indeno[1
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Mol. Formula:
C24H16ClNO2

M.W.:
385.85

Type:
Unknown

AlogP:
6.05

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4538567

Name:
(1E,4E)-6-(1-(3,4,5-trimethoxybenzoylthio)pentyl)-
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Mol. Formula:
C27H32N2O8S

M.W.:
544.63

Type:
Unknown

AlogP:
5.46

Polar Surface Area:
128.40

HBA:
11

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4537554

Name:
(1E,4E)-6-(1-(ethylthio)nonyl)-5,8-dimethoxy-1,4-n
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Mol. Formula:
C23H34N2O4S

M.W.:
434.60

Type:
Unknown

AlogP:
6.18

Polar Surface Area:
83.64

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4537163

Name:
2-(4-Chlorophenyl)-4-(2-hydroxyphenyl)-5H-indeno[1
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Mol. Formula:
C24H16ClNO2

M.W.:
385.85

Type:
Unknown

AlogP:
6.05

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4525071

Name:
2-(2-Fluorophenyl)-4-(2-hydroxyphenyl)-5H-indeno[1
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Mol. Formula:
C24H16FNO2

M.W.:
369.39

Type:
Unknown

AlogP:
5.54

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4524887

Name:
2-(3-Chlorophenyl)-4-(4-hydroxyphenyl)-5H-indeno[1
Show More⌵

Mol. Formula:
C24H16ClNO2

M.W.:
385.85

Type:
Unknown

AlogP:
6.05

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4524741

Name:
2-(3-Chlorophenyl)-4-(2-hydroxyphenyl)-5H-indeno[1
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Mol. Formula:
C24H16ClNO2

M.W.:
385.85

Type:
Unknown

AlogP:
6.05

Polar Surface Area:
53.35

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4522758

Name:
Resorcinoside B

Mol. Formula:
C37H54O11

M.W.:
674.83

6 activity values

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
190.28

HBA:
11

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4522322

Name:
(1E,4E)-6-(1-(2-thiophenecarbonylthio)nonyl)-5,8-d
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Mol. Formula:
C26H32N2O5S2

M.W.:
516.69