Compounds

(15:3)-Anacardic acid

Name:
2-Hydroxy-6-pentadecyl-benzoic acid

Mol. Formula:
C22H30O3

M.W.:
342.48

78 activity values

27 unique targets

Type:
Small molecule

AlogP:
6.05

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA34277

Name:
2-Hydroxy-6-(14-methyl-pentadecyl)-benzoic acid

Mol. Formula:
C23H38O3

M.W.:
362.55

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
6.97

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA33995

Name:
2-((8E,11E,14E)-Heptadeca-8,11,14-trienyl)-6-hydroxy-benzoic acid

Mol. Formula:
C24H34O3

M.W.:
370.53

30 activity values

21 unique targets

Type:
Small molecule

AlogP:
6.83

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA416038

Name:
2-Decyl-6-hydroxy-benzoic acid

Mol. Formula:
C17H26O3

M.W.:
278.39

22 activity values

14 unique targets

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA33379

Name:
2-Hydroxy-6-octyl-benzoic acid

Mol. Formula:
C15H22O3

M.W.:
250.34

9 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA33202

Name:
3-Decyl-phenol

Mol. Formula:
C16H26O

M.W.:
234.38

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA30870

Name:
2-Decyl-6-methoxy-benzoic acid

Mol. Formula:
C18H28O3

M.W.:
292.42

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA33019

Name:
3-Decyl-benzene-1,2-diol

Mol. Formula:
C16H26O2

M.W.:
250.38

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA30915

Name:
2-Methoxy-6-pentadecyl-benzoic acid

Mol. Formula:
C23H38O3

M.W.:
362.55

14 activity values

11 unique targets

Type:
Small molecule

AlogP:
7.03

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA30914

Name:
2-Heptadecyl-6-hydroxy-benzoic acid

Mol. Formula:
C24H40O3

M.W.:
376.58

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
7.50

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA34634

Name:
2-Hydroxy-6-(13-methyl-pentadecyl)-benzoic acid

Mol. Formula:
C23H38O3

M.W.:
362.55

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
6.97

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA284924

Name:
2-Decyl-benzoic acid

Mol. Formula:
C17H26O2

M.W.:
262.39

7 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA8087

Name:
3-Pentadecyl-benzene-1,2-diol

Mol. Formula:
C21H36O2

M.W.:
320.52

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
6.73

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.29

DETAILS