Compounds

Type:
Small molecule

AlogP:
6.52

Polar Surface Area:
122.64

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3781244

Name:
N-(4-((4-(3-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)-naphthalen-1-ylShow More⌵

Mol. Formula:
C35H39N7O3

M.W.:
605.74

Type:
Small molecule

AlogP:
6.75

Polar Surface Area:
113.41

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3781473

Name:
N-(4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-ureido)naphthalenShow More⌵

Mol. Formula:
C39H38N6O3

M.W.:
638.77

Type:
Small molecule

AlogP:
8.43

Polar Surface Area:
110.17

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3780519

Name:
N-(4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-ureido)naphthalenShow More⌵

Mol. Formula:
C38H36N6O3

M.W.:
624.75

Type:
Small molecule

AlogP:
8.50

Polar Surface Area:
110.17

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3781687

Name:
1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-((2-(3-methylureido)pyrShow More⌵

Mol. Formula:
C34H37N7O3

M.W.:
591.72

Type:
Small molecule

AlogP:
7.04

Polar Surface Area:
122.20

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3781102

Name:
N-(4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-ureido)naphthalenShow More⌵

Mol. Formula:
C33H34N6O3

M.W.:
562.67

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
7.21

Polar Surface Area:
110.17

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3780714

Name:
N-(4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-ureido)naphthalenShow More⌵

Mol. Formula:
C32H34N6O4S

M.W.:
598.73

Type:
Small molecule

AlogP:
6.62

Polar Surface Area:
127.24

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3781532

Name:
Methyl (4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-ureido)naphtShow More⌵

Mol. Formula:
C34H36N6O4

M.W.:
592.70

Type:
Small molecule

AlogP:
7.47

Polar Surface Area:
119.40

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3781413

Name:
4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)ureido)-naphthalen-1-Show More⌵

Mol. Formula:
C38H43N7O4

M.W.:
661.81

Type:
Small molecule

AlogP:
6.31

Polar Surface Area:
122.64

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3780410

Name:
4-(((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)ureido)-naphthalen-1-Show More⌵

Mol. Formula:
C35H38N6O4

M.W.:
606.73

Type:
Small molecule

AlogP:
6.63

Polar Surface Area:
119.40

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3782009

Name:
N-(1-(2-((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-ureido)naphthalShow More⌵

Mol. Formula:
C32H35N7O3

M.W.:
565.68

Type:
Small molecule

AlogP:
6.51

Polar Surface Area:
115.10

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3780629

Name:
4-(2-((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)ureido)-naphthalen-Show More⌵

Mol. Formula:
C36H40N6O4

M.W.:
620.75

Type:
Small molecule

AlogP:
6.67

Polar Surface Area:
119.40

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3780089

Name:
4-(2-((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)ureido)-naphthalen-Show More⌵

Mol. Formula:
C34H36N6O3

M.W.:
576.70

Type:
Small molecule

AlogP:
6.65

Polar Surface Area:
110.17

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3780154

Name:
N-(4-(2-(4-(3-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)-naphthalen-1-Show More⌵

Mol. Formula:
C35H38N6O4

M.W.:
606.73

Type:
Small molecule

AlogP:
6.88

Polar Surface Area:
119.40

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3780488

Name:
N-(4-(2-((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-ureido)naphthalShow More⌵

Mol. Formula:
C34H36N6O3

M.W.:
576.70

Type:
Small molecule

AlogP:
7.25

Polar Surface Area:
110.17

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3780111

Name:
1-(4-(2-(3-Aminopyridin-4-yl)ethoxy)naphthalen-1-yl)-3-(3-(tert-butyl)-1-(pShow More⌵

Mol. Formula:
C32H34N6O2

M.W.:
534.66

6 activity values

Type:
Small molecule

AlogP:
6.87

Polar Surface Area:
107.09

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3781587

Name:
1-(4-(2-(2-Aminopyridin-4-yl)ethoxy)naphthalen-1-yl)-3-(3-tert-butyl-1-p-toShow More⌵

Mol. Formula:
C32H34N6O2

M.W.:
534.66

Type:
Small molecule

AlogP:
6.87

Polar Surface Area:
107.09

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3781528

Name:
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-(pyridin-2-yl)ethoxy)napShow More⌵

Mol. Formula:
C32H33N5O2

M.W.:
519.65

Type:
Small molecule

AlogP:
7.29

Polar Surface Area:
81.07

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3695593

Name:
US8933228, 21

Mol. Formula:
C30H27N7O3S

M.W.:
565.66

4 activity values

Type:
Small molecule

AlogP:
6.76

Polar Surface Area:
126.82

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3695591

Name:
US8933228, 19

Mol. Formula:
C28H25Cl2N7O4

M.W.:
594.46

4 activity values