Compounds

ALA5278449

Name:
4-(4-(p-tolyloxy)phenyl)thiophen-2-aminium Iodide

Mol. Formula:
C17H16INOS

M.W.:
409.29

Type:
---

AlogP:
5.10

Polar Surface Area:
35.25

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5276180

Name:
5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-(4-(2-(pyrrolidin-1-yl)ethoxy)pheShow More⌵

Mol. Formula:
C33H35F3N2O6S

M.W.:
644.71

Type:
---

AlogP:
5.72

Polar Surface Area:
88.54

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5266426

Name:
(R)-3-(4-hydroxyphenyl)-3-(4-(trifluoromethoxy)phenyl)-7-(trifluoromethyl)iShow More⌵

Mol. Formula:
C22H13F6NO3

M.W.:
453.34

Type:
---

AlogP:
5.60

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4800147

Name:
3-Morpholino-(4-fluorophenyl)-methyl-magnolol

Mol. Formula:
C29H30FNO3

M.W.:
459.56

6 activity values

6 unique targets

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4799732

Name:
5,5'-diallyl-3-((2-fluorophenyl)(morpholino)methyl)biphenyl-2,2'-diol

Mol. Formula:
C29H30FNO3

M.W.:
459.56

6 activity values

6 unique targets

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4799471

Name:
3-Morpholinophenylmethyl-magnolol

Mol. Formula:
C29H31NO3

M.W.:
441.57

6 activity values

6 unique targets

Type:
Unknown

AlogP:
5.64

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4799329

Name:
5,5'-diallyl-3-((3,4-difluorophenyl)(morpholino)methyl)biphenyl-2,2'-diol

Mol. Formula:
C29H29F2NO3

M.W.:
477.55

6 activity values

6 unique targets

Type:
Unknown

AlogP:
5.92

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4798468

Name:
5,5'-diallyl-3-((4-bromophenyl)(morpholino)methyl)biphenyl-2,2'-diol

Mol. Formula:
C29H30BrNO3

M.W.:
520.47

6 activity values

6 unique targets

Type:
Unknown

AlogP:
6.41

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4798364

Name:
5,5'-diallyl-3-((3,4-dichlorophenyl)(morpholino)methyl)biphenyl-2,2'-diol

Mol. Formula:
C29H29Cl2NO3

M.W.:
510.46

6 activity values

6 unique targets

Type:
Unknown

AlogP:
6.95

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4798257

Name:
5,5'-diallyl-3-((2-chloro-4-fluorophenyl)(piperidin-1-yl)methyl)biphenyl-2,Show More⌵

Mol. Formula:
C30H31ClFNO2

M.W.:
492.03

6 activity values

6 unique targets

Type:
Unknown

AlogP:
7.59

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4798068

Name:
5,5'-diallyl-3-((3-chloro-4-fluorophenyl)(morpholino)methyl)biphenyl-2,2'-dShow More⌵

Mol. Formula:
C29H29ClFNO3

M.W.:
494.01

6 activity values

6 unique targets

Type:
Unknown

AlogP:
6.44

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4797037

Name:
5,5'-diallyl-3-((3-fluorophenyl)(morpholino)methyl)biphenyl-2,2'-diol

Mol. Formula:
C29H30FNO3

M.W.:
459.56

6 activity values

6 unique targets

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4796252

Name:
5,5'-diallyl-3-((2-methoxyphenyl)(piperidin-1-yl)methyl)biphenyl-2,2'-diol

Mol. Formula:
C31H35NO3

M.W.:
469.63

6 activity values

6 unique targets

Type:
Unknown

AlogP:
6.81

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4796052

Name:
5,5'-diallyl-3-((3-chloro-4-fluorophenyl)(piperidin-1-yl)methyl)biphenyl-2,Show More⌵

Mol. Formula:
C30H31ClFNO2

M.W.:
492.03

6 activity values

6 unique targets

Type:
Unknown

AlogP:
7.59

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4794867

Name:
5,5'-diallyl-3-((2-fluorophenyl)(piperidin-1-yl)methyl)biphenyl-2,2'-diol

Mol. Formula:
C30H32FNO2

M.W.:
457.59

6 activity values

6 unique targets

Type:
Unknown

AlogP:
6.94

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4794553

Name:
5,5'-diallyl-3-((4-methoxyphenyl)(morpholino)methyl)biphenyl-2,2'-diol

Mol. Formula:
C30H33NO4

M.W.:
471.60

6 activity values

6 unique targets

Type:
Unknown

AlogP:
5.65

Polar Surface Area:
62.16

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4794119

Name:
5,5'-diallyl-3-((3-bromo-4-fluorophenyl)(morpholino)methyl)biphenyl-2,2'-diShow More⌵

Mol. Formula:
C29H29BrFNO3

M.W.:
538.46

6 activity values

6 unique targets

Type:
Unknown

AlogP:
6.55

Polar Surface Area:
52.93

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4793955

Name:
5,5'-diallyl-3-((3-bromo-4-fluorophenyl)(piperidin-1-yl)methyl)biphenyl-2,2Show More⌵

Mol. Formula:
C30H31BrFNO2

M.W.:
536.49

6 activity values

6 unique targets

Type:
Unknown

AlogP:
7.70

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4793902

Name:
3-(Piperidin-l-yl)-(4-fluorophenyl)-methyl-magnolol

Mol. Formula:
C30H32FNO2

M.W.:
457.59

6 activity values

6 unique targets

Type:
Unknown

AlogP:
6.94

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4791320

Name:
5,5'-diallyl-3-((4-chlorophenyl)(piperidin-1-yl)methyl)biphenyl-2,2'-diol

Mol. Formula:
C30H32ClNO2

M.W.:
474.04

6 activity values

6 unique targets

Type:
Unknown

AlogP:
7.45

Polar Surface Area:
43.70

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS