Compounds

Type:
Unknown

AlogP:
5.68

Polar Surface Area:
78.93

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4464995

Name:
cis-3-(3-{[2-(3,4-dimethoxyphenoxy)ethyl](methyl)amino}cyclohexyl)-7,8-dimeShow More⌵

Mol. Formula:
C29H40N2O6

M.W.:
512.65

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
69.70

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4460609

Name:
cis-3-(3-{[(3,4-dimethoxyphenyl)methyl](methyl)amino}cyclohexyl)-7,8-dimethShow More⌵

Mol. Formula:
C28H38N2O5

M.W.:
482.62

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
60.47

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

EC18

Name:
(+)-3-(3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}cyclohexyl)-7,8-dimetShow More⌵

Mol. Formula:
C29H40N2O5

M.W.:
496.65

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
60.47

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4453882

Name:
rac-cis-3-(3-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}cyclohexyl)-7,8-dShow More⌵

Mol. Formula:
C29H40N2O5

M.W.:
496.65

31 activity values

6 unique targets

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
60.47

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4449749

Name:
cis-3-(3-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl](methyl)amino}cycloheShow More⌵

Mol. Formula:
C30H40N2O5

M.W.:
508.66

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
60.47

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4449514

Name:
cis-3-(3-{[3-(3,4-dimethoxyphenyl)propyl](methyl)amino}cyclohexyl)-7,8-dimeShow More⌵

Mol. Formula:
C30H42N2O5

M.W.:
510.68

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
60.47

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4435474

Name:
3-(5-((3,4-dimethoxyphenethyl)(methyl)amino)cyclohex-2-enyl)-7,8-dimethoxy-Show More⌵

Mol. Formula:
C29H36N2O5

M.W.:
492.62

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
60.47

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1254179

Name:
3-((E)-4-(((S)-2-(3,4-dimethoxyphenyl)propyl)(methyl)amino)but-2-enyl)-7,8-Show More⌵

Mol. Formula:
C28H36N2O5

M.W.:
480.61

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
60.47

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1254086

Name:
3-((E)-4-(((R)-2-(3,4-dimethoxyphenyl)propyl)(methyl)amino)but-2-enyl)-7,8-Show More⌵

Mol. Formula:
C28H36N2O5

M.W.:
480.61

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
60.47

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA1253479

Name:
3,3'-((2E,2'E)-4,4'-((S)-2-(3,4-dimethoxyphenyl)propylazanediyl)bis(but-2-eShow More⌵

Mol. Formula:
C43H51N3O8

M.W.:
737.89

Type:
Small molecule

AlogP:
6.37

Polar Surface Area:
99.24

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA1253478

Name:
3,3'-((2E,2'E)-4,4'-((R)-2-(3,4-dimethoxyphenyl)propylazanediyl)bis(but-2-eShow More⌵

Mol. Formula:
C43H51N3O8

M.W.:
737.89