Compounds

Type:
Small molecule

AlogP:
4.75

Polar Surface Area:
77.24

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3545019

Name:
{2-Methyl-4-[5-methyl-2-(4-trifluoromethyl-phenyl)-2H-[1,2,3]triazol-4-ylmeShow More⌵

Mol. Formula:
C20H18F3N3O3S

M.W.:
437.44

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
77.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3115247

Name:
3-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-5-(1-butyl-1H-benzo[d]imidazShow More⌵

Mol. Formula:
C35H34N8

M.W.:
566.71

20 activity values

6 unique targets

Type:
Small molecule

AlogP:
7.70

Polar Surface Area:
90.10

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3115246

Name:
4'-((5-(1-butyl-1H-benzo[d]imidazol-2-yl)-2-propyl-2H-indazol-3-yl)methyl)bShow More⌵

Mol. Formula:
C35H34N4O2

M.W.:
542.68

Type:
Small molecule

AlogP:
8.22

Polar Surface Area:
72.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3115245

Name:
3-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-N-(1-phenylpropyl)-2-propylpShow More⌵

Mol. Formula:
C34H33N7O

M.W.:
555.69

Type:
Small molecule

AlogP:
6.61

Polar Surface Area:
100.86

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3115244

Name:
4'-((5-(1-phenylpropylcarbamoyl)-2-propyl-2H-indazol-3-yl)methyl)biphenyl-2Show More⌵

Mol. Formula:
C34H33N3O3

M.W.:
531.66

Type:
Small molecule

AlogP:
7.28

Polar Surface Area:
84.22

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3115243

Name:
2-(3-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-propylpyrazolo[1,5-a]pyShow More⌵

Mol. Formula:
C34H32N8

M.W.:
552.69

Type:
Small molecule

AlogP:
7.15

Polar Surface Area:
89.58

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3115242

Name:
4'-((2-propyl-5-(1-propyl-1H-benzo[d]imidazol-2-yl)pyrazolo[1,5-a]pyridin-3Show More⌵

Mol. Formula:
C34H32N4O2

M.W.:
528.66

Type:
Small molecule

AlogP:
7.67

Polar Surface Area:
72.42

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3115241

Name:
4'-((5-(1-phenylpropylcarbamoyl)-2-propylpyrazolo[1,5-a]pyridin-3-yl)methylShow More⌵

Mol. Formula:
C34H33N3O3

M.W.:
531.66

Type:
Small molecule

AlogP:
7.12

Polar Surface Area:
83.70

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA2336644

Name:
4-(((3,5-bis(trifluoromethyl)benzyl)(3-(4-methylbenzylamino)propyl)amino)meShow More⌵

Mol. Formula:
C28H28F6N2O2

M.W.:
538.53

15 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.91

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2314272

Name:
[1-benzyl-6-(3-phenoxazin-10-yl-propoxy)-1H-indol-3-yl]acetic acid

Mol. Formula:
C32H28N2O4

M.W.:
504.59

Type:
Small molecule

AlogP:
7.03

Polar Surface Area:
63.93

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2314271

Name:
[5-(3-Carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid

Mol. Formula:
C25H22N2O3

M.W.:
398.46

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
67.25

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2314270

Name:
[1-Benzyl-5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid

Mol. Formula:
C32H28N2O3

M.W.:
488.59

Type:
Small molecule

AlogP:
6.89

Polar Surface Area:
56.39

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA2314269

Name:
[6-(3-carbazol-9-yl-propoxy)-1H-indol-3-yl]acetic acid

Mol. Formula:
C25H22N2O3

M.W.:
398.46

Type:
Small molecule

AlogP:
5.37

Polar Surface Area:
67.25

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2314268

Name:
[1-Benzyl-6-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetic acid

Mol. Formula:
C26H24N2O3

M.W.:
412.49

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
56.39

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2314267

Name:
[5-(3-Phenoxazin-10-ylpropoxy)-1H-indol-3-yl]acetic acid

Mol. Formula:
C25H22N2O4

M.W.:
414.46

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
74.79

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2314266

Name:
[1-Benzyl-5-(3-phenoxazin-10-ylpropoxy)-1H-indol-3-yl]acetic acid

Mol. Formula:
C32H28N2O4

M.W.:
504.59

Type:
Small molecule

AlogP:
7.03

Polar Surface Area:
63.93

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2314265

Name:
[6-(3-phenoxazin-10-yl-propoxy)-1H-indol-3-yl]acetic acid

Mol. Formula:
C25H22N2O4

M.W.:
414.46

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
74.79

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2314264

Name:
[1-(4-fluorobenzyl)-6-(3-phenoxazin-10-ylpropoxy)-1H-indol-3-yl]acetic acid

Mol. Formula:
C32H27FN2O4

M.W.:
522.58