Compounds

4 unique targets

Type:
Small molecule

AlogP:
7.44

Polar Surface Area:
88.02

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

Olivetol

Name:
5-Pentyl-benzene-1,3-diol (Olivetol)

Mol. Formula:
C11H16O2

M.W.:
180.25

29 activity values

15 unique targets

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA421988

Name:
9-Hydroxymethyl-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chroShow More⌵

Mol. Formula:
C21H30O3

M.W.:
330.47

5 activity values

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA155677

Name:
6-Methyl-3-(1-methyl-4-phenyl-butoxy)-5,6,6a,7,8,9,10,10a-octahydro-phenantShow More⌵

Mol. Formula:
C25H33NO3

M.W.:
395.54

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
61.72

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA155362

Name:
6,6-Dimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-ol

Mol. Formula:
C20H28O2

M.W.:
300.44

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA153972

Name:
4-Morpholin-4-yl-butyric acid 3-hexyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydroShow More⌵

Mol. Formula:
C30H45NO4

M.W.:
483.69

5 activity values

Type:
Small molecule

AlogP:
6.44

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA153971

Name:
1-Hydroxy-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-Show More⌵

Mol. Formula:
C21H28O3

M.W.:
328.45

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA345410

Name:
1-Hydroxy-6,6-dimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-Show More⌵

Mol. Formula:
C21H28O4

M.W.:
344.45

5 activity values

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA154127

Name:
cannabicyclol

Mol. Formula:
C21H30O2

M.W.:
314.47

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

cannabichromene

Name:
2-Methyl-2-(4-methyl-pent-3-enyl)-7-pentyl-2H-chromen-5-ol (cannabichromeneShow More⌵

Mol. Formula:
C21H30O2

M.W.:
314.47

58 activity values

27 unique targets

Type:
Small molecule

AlogP:
6.04

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA158347

Name:
6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-1,8-diol

Mol. Formula:
C21H30O3

M.W.:
330.47

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA349129

Name:
3-(1-Hydroxy-pentyl)-6,6,9-trimethyl-6H-benzo[c]chromen-1-ol

Mol. Formula:
C21H26O3

M.W.:
326.44

Type:
Small molecule

AlogP:
5.22

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA155487

Name:
6,6,9-Trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-ol

Mol. Formula:
C21H30O2

M.W.:
314.47

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA346988

Name:
3-(1,2-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]cShow More⌵

Mol. Formula:
C25H38O2

M.W.:
370.58

Type:
Small molecule

AlogP:
7.32

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA155472

Name:
3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-beShow More⌵

Mol. Formula:
C24H36O3

M.W.:
372.55

Type:
Small molecule

AlogP:
6.26

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA349341

Name:
3-(5-Hydroxy-pentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromShow More⌵

Mol. Formula:
C21H30O3

M.W.:
330.47

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA347104

Name:
(-)-6,6,9-Trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1Show More⌵

Mol. Formula:
C21H32O2

M.W.:
316.49

6 activity values

Type:
Small molecule

AlogP:
5.82

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA153673

Name:
6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-1,8-diol

Mol. Formula:
C21H30O3

M.W.:
330.47

6 activity values

Type:
Small molecule

AlogP:
4.71

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA152814

Name:
(1-Heptyl-2-methyl-1H-indol-3-yl)-naphthalen-1-yl-methanone

Mol. Formula:
C27H29NO

M.W.:
383.54

2 activity values

Type:
Small molecule

AlogP:
7.30

Polar Surface Area:
22.00

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA152187

Name:
[2-Methyl-1-(1-methyl-hexyl)-1H-indol-3-yl]-naphthalen-1-yl-methanone

Mol. Formula:
C27H29NO

M.W.:
383.54

2 activity values