Compounds

Type:
Small molecule

AlogP:
6.15

Polar Surface Area:
94.59

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA1092431

Name:
3-(4-((3-cyanophenoxy)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3,4-dShow More⌵

Mol. Formula:
C35H28F2N2O5S

M.W.:
626.68

8 activity values

Type:
Small molecule

AlogP:
6.63

Polar Surface Area:
105.49

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA1092097

Name:
N-(3,4-difluorophenylsulfonyl)-3-(4-(morpholinomethyl)-2-(2-(naphthalen-2-yShow More⌵

Mol. Formula:
C32H32F2N2O5S

M.W.:
594.68

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
84.94

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1090938

Name:
N-(3,4-difluorophenylsulfonyl)-3-(4-((dimethylamino)methyl)-2-(2-(naphthaleShow More⌵

Mol. Formula:
C30H30F2N2O4S

M.W.:
552.64

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
75.71

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1090937

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(methyl(phenyl)amino)ethoxy)phenyl)-N-(Show More⌵

Mol. Formula:
C28H28F2N4O4S

M.W.:
554.62

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
93.53

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1092976

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-phenoxyethoxy)phenyl)-N-(3,4-difluorophShow More⌵

Mol. Formula:
C27H25F2N3O5S

M.W.:
541.58

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
99.52

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA1091744

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-(3-morpholinophenethoxy)phenyl)-N-(3,4-difShow More⌵

Mol. Formula:
C31H32F2N4O5S

M.W.:
610.68

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
102.76

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1093820

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-phenethoxyphenyl)-N-(3,4-difluorophenylsulShow More⌵

Mol. Formula:
C27H25F2N3O4S

M.W.:
525.58

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1091743

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-(naphthalen-1-ylmethylaminooxy)phenyl)-N-(Show More⌵

Mol. Formula:
C30H26F2N4O4S

M.W.:
576.63

Type:
Small molecule

AlogP:
4.88

Polar Surface Area:
102.32

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA1091742

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3-cyShow More⌵

Mol. Formula:
C32H28N4O4S

M.W.:
564.67

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
114.08

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA1091741

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3,4-Show More⌵

Mol. Formula:
C31H27F2N3O4S

M.W.:
575.64

8 activity values

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA1091740

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3-chShow More⌵

Mol. Formula:
C31H27ClFN3O4S

M.W.:
592.09

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA1091739

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3,4-Show More⌵

Mol. Formula:
C31H27Cl2N3O4S

M.W.:
608.55

Type:
Small molecule

AlogP:
6.45

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA1091738

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(3-chShow More⌵

Mol. Formula:
C32H30ClN3O4S

M.W.:
588.13

Type:
Small molecule

AlogP:
6.11

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1093819

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(4-meShow More⌵

Mol. Formula:
C29H28N4O4S2

M.W.:
560.70

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
103.18

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA1093842

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(5-meShow More⌵

Mol. Formula:
C30H29N3O5S

M.W.:
543.65

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
103.43

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA1093841

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(pyriShow More⌵

Mol. Formula:
C30H28N4O4S

M.W.:
540.65

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
103.18

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1093537

Name:
3-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenyl)-N-(pyriShow More⌵

Mol. Formula:
C30H28N4O4S

M.W.:
540.65

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
103.18

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA1091959

Name:
N-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)phenethylsulfonShow More⌵

Mol. Formula:
C31H29N3O4S

M.W.:
539.66

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA1092267

Name:
N-(4-((1H-pyrazol-1-yl)methyl)-2-(2-(naphthalen-2-yl)ethoxy)benzylcarbamoylShow More⌵

Mol. Formula:
C30H28N4O4S

M.W.:
540.65