Compounds

ALA1765590

Name:
(2E,4E,6Z,8E)-7-cyclopropyl-3-methyl-9-(2,6,6-trimethylcyclohex-2-enyl)nonaShow More⌵

Mol. Formula:
C22H30O

M.W.:
310.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1765589

Name:
(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-enyl)nona-2,4,6,8-tShow More⌵

Mol. Formula:
C20H28O

M.W.:
284.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.57

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1765588

Name:
(2E,4Z,6E,8E)-7-cyclopropyl-3-methyl-9-(2,6,6-trimethylcyclohex-2-enyl)nonaShow More⌵

Mol. Formula:
C22H30O

M.W.:
310.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1765587

Name:
alpha-Rhodopsin

Mol. Formula:
C20H28O

M.W.:
284.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.57

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1765586

Name:
(2E,4E,6Z,8E)-3-isopropyl-7-methyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2Show More⌵

Mol. Formula:
C22H32O

M.W.:
312.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1765585

Name:
(2E,4E,6Z,8E)-3-cyclopropyl-7-methyl-9-(2,6,6-trimethylcyclohex-1-enyl)nonaShow More⌵

Mol. Formula:
C22H30O

M.W.:
310.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.11

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1765584

Name:
(2E,4E,6Z,8E)-7-isopropyl-3-methyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2Show More⌵

Mol. Formula:
C22H32O

M.W.:
312.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1765583

Name:
9-cyclopropyl Iso Rhodopsin

Mol. Formula:
C22H30O

M.W.:
310.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.11

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1765582

Name:
(2E,4Z,6E,8E)-3-isopropyl-7-methyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2Show More⌵

Mol. Formula:
C22H32O

M.W.:
312.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1765581

Name:
13-Isopropyl Rhodopsin

Mol. Formula:
C22H30O

M.W.:
310.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.11

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1765580

Name:
(2E,4Z,6E,8E)-7-isopropyl-3-methyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2Show More⌵

Mol. Formula:
C22H32O

M.W.:
312.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.35

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1765579

Name:
9-cyclopropyl Rhodopsin

Mol. Formula:
C22H30O

M.W.:
310.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.11

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA472349

Name:
2-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,Show More⌵

Mol. Formula:
C27H35BrO4S

M.W.:
535.54

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.69

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

Medicagenic acid

Name:
(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hShow More⌵

Mol. Formula:
C30H46O6

M.W.:
502.69

72 activity values

66 unique targets

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
115.06

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA488842

Name:
(8S,9S,10R,11S,13S,14S,17R)-17-((S)-1,2-dihydroxyethyl)-11,17-dihydroxy-10,Show More⌵

Mol. Formula:
C21H32O5

M.W.:
364.48

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
97.99

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS