Compounds

Type:
Small molecule

AlogP:
7.07

Polar Surface Area:
64.99

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4217018

Name:
2-methoxy-4'-((2-methoxyethoxy)methoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetShow More⌵

Mol. Formula:
C32H38O6

M.W.:
518.65

Type:
Small molecule

AlogP:
7.08

Polar Surface Area:
74.22

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

BMS 961

Name:
rac-3-fluoro-4-(2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalShow More⌵

Mol. Formula:
C23H26FNO4

M.W.:
399.46

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
86.63

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4216161

Name:
4'-((2-methoxyethoxy)methoxy)-3-methyl-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrShow More⌵

Mol. Formula:
C32H38O5

M.W.:
502.65

Type:
Small molecule

AlogP:
7.38

Polar Surface Area:
64.99

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4215630

Name:
4'-((2-methoxyethoxy)methoxy)-2-methyl-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrShow More⌵

Mol. Formula:
C32H38O5

M.W.:
502.65

Type:
Small molecule

AlogP:
7.38

Polar Surface Area:
64.99

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4215021

Name:
4'-(3-(cyclopropylamino)propoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydroShow More⌵

Mol. Formula:
C33H39NO3

M.W.:
497.68

Type:
Small molecule

AlogP:
7.59

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4214493

Name:
3'-chloro-4'-((2-methoxyethoxy)methoxy)-5'-(5,5,8,8-tetramethyl-5,6,7,8-tetShow More⌵

Mol. Formula:
C31H35ClO5

M.W.:
523.07

Type:
Small molecule

AlogP:
7.72

Polar Surface Area:
64.99

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4212684

Name:
6-(4-((2-methoxyethoxy)methoxy)-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaShow More⌵

Mol. Formula:
C30H35NO5

M.W.:
489.61

Type:
Small molecule

AlogP:
6.46

Polar Surface Area:
77.88

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4212472

Name:
6-((4,4-dimethylthiochroman-6-yl)ethynyl)picolinic acid

Mol. Formula:
C19H17NO2S

M.W.:
323.42

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
50.19

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4211195

Name:
3-methoxy-4'-((2-methoxyethoxy)methoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetShow More⌵

Mol. Formula:
C32H38O6

M.W.:
518.65

Type:
Small molecule

AlogP:
7.08

Polar Surface Area:
74.22

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4211171

Name:
3''-tert-Butyl-4'-carboxymethoxy-4''-pyrrolidin-1-yl-[1,1';3',1'']terphenylShow More⌵

Mol. Formula:
C29H31NO5

M.W.:
473.57

6 unique targets

Type:
Small molecule

AlogP:
6.08

Polar Surface Area:
87.07

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4210595

Name:
4'-(3-hydroxypropoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-Show More⌵

Mol. Formula:
C30H34O4

M.W.:
458.60

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
6.83

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4210099

Name:
4'-(hydroxymethyl)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yShow More⌵

Mol. Formula:
C28H30O3

M.W.:
414.55

Type:
Small molecule

AlogP:
6.56

Polar Surface Area:
57.53

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4207978

Name:
3''-tert-Butyl-4''-(4-hydroxy-butylamino)-4'-(2-hydroxy-ethoxy)-[1,1';3',1'Show More⌵

Mol. Formula:
C29H35NO5

M.W.:
477.60

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.57

Polar Surface Area:
99.02

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4207786

Name:
3-chloro-4'-((2-methoxyethoxy)methoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrShow More⌵

Mol. Formula:
C31H35ClO5

M.W.:
523.07

Type:
Small molecule

AlogP:
7.72

Polar Surface Area:
64.99

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4206237

Name:
4'-methoxy-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)biphenShow More⌵

Mol. Formula:
C28H30O3

M.W.:
414.55

Type:
Small molecule

AlogP:
7.08

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4205733

Name:
4'-(4-hydroxybutoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2Show More⌵

Mol. Formula:
C31H36O4

M.W.:
472.63

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
7.22

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4205304

Name:
2-fluoro-4'-((2-methoxyethoxy)methoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrShow More⌵

Mol. Formula:
C31H35FO5

M.W.:
506.61

Type:
Small molecule

AlogP:
7.21

Polar Surface Area:
64.99

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4203950

Name:
2-chloro-4'-((2-methoxyethoxy)methoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrShow More⌵

Mol. Formula:
C31H35ClO5

M.W.:
523.07

Type:
Small molecule

AlogP:
7.72

Polar Surface Area:
64.99

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4203742

Name:
4'-hydroxy-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)biphenShow More⌵

Mol. Formula:
C27H28O3

M.W.:
400.52