Compounds

Type:
Unknown

AlogP:
8.35

Polar Surface Area:
47.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4647557

Name:
N-(4-fluorobenzyl)-2-(3-([1,1'-biphenyl]-4-yl)-2-([5-(pyrrolidin-1-yl)pentyShow More⌵

Mol. Formula:
C38H41FN4OS

M.W.:
620.84

Type:
Unknown

AlogP:
8.75

Polar Surface Area:
47.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4645813

Name:
N-benzyl-2-(2-[(5-(dimethylamino)pentyl]thio)-3-phenyl-3,4-dihydroquinazoliShow More⌵

Mol. Formula:
C30H36N4OS

M.W.:
500.71

Type:
Unknown

AlogP:
6.41

Polar Surface Area:
47.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4645030

Name:
N-(4-fluorobenzyl)-2-(3-([1,1'-biphenyl]-4-yl)-2-([5-(dimethylamino)pentyl]Show More⌵

Mol. Formula:
C36H39FN4OS

M.W.:
594.80

Type:
Unknown

AlogP:
8.21

Polar Surface Area:
47.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4643629

Name:
N-benzyl-2-(3-([1,1'-biphenyl]-4-yl)-2-([5-(pyrrolidin-1-yl)pentyl]thio)-3,Show More⌵

Mol. Formula:
C38H42N4OS

M.W.:
602.85

Type:
Unknown

AlogP:
8.61

Polar Surface Area:
47.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4642980

Name:
N-benzyl-2-(3-(4'-fluoro-[1,1'-biphenyl]-4-yl)-2-([5-(pyrrolidin-1-yl)pentyShow More⌵

Mol. Formula:
C38H41FN4OS

M.W.:
620.84

Type:
Unknown

AlogP:
8.75

Polar Surface Area:
47.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4642558

Name:
N-(4-fluorobenzyl)-2-(3-phenyl-2-[(5-(pyrrolidin-1-yl)pentyl]thio)-3,4-dihyShow More⌵

Mol. Formula:
C32H37FN4OS

M.W.:
544.74

Type:
Unknown

AlogP:
7.08

Polar Surface Area:
47.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4642220

Name:
N-(4-fluorobenzyl)-2-(3-(4'-fluoro-[1,1'-biphenyl]-4-yl)-2-([5-(pyrrolidin-Show More⌵

Mol. Formula:
C38H40F2N4OS

M.W.:
638.83

Type:
Unknown

AlogP:
8.89

Polar Surface Area:
47.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4636912

Name:
N-benzyl-2-(3-phenyl-2-[(5-(pyrrolidin-1-yl)pentyl)]thio-3,4-dihydroquinazoShow More⌵

Mol. Formula:
C32H38N4OS

M.W.:
526.75

Type:
Unknown

AlogP:
6.94

Polar Surface Area:
47.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4636176

Name:
N-(4-fluorobenzyl)-2-(2-[(5-(dimethylamino)pentyl]thio)-3-phenyl-3,4-dihydrShow More⌵

Mol. Formula:
C30H35FN4OS

M.W.:
518.70

Type:
Unknown

AlogP:
6.55

Polar Surface Area:
47.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4634314

Name:
N-benzyl-2-(3-([1,1'-biphenyl]-4-yl)-2-([5-(dimethylamino)pentyl]thio)-3,4-Show More⌵

Mol. Formula:
C36H40N4OS

M.W.:
576.81

Type:
Unknown

AlogP:
8.07

Polar Surface Area:
47.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4632832

Name:
N-benzyl-2-(2-([5-(dimethylamino)pentyl]thio)-3-(4'-fluoro-[1,1'-biphenyl]-Show More⌵

Mol. Formula:
C36H39FN4OS

M.W.:
594.80

Type:
Unknown

AlogP:
8.21

Polar Surface Area:
47.94

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4218617

Name:
N-(1-Benzyl-1H-pyrazol-3-yl)-2-(4-isopropyl-phenyl)-acetamide

Mol. Formula:
C21H23N3O

M.W.:
333.44

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4218161

Name:
N-[1-(4-Cyano-3-fluoro-benzyl)-1H-pyrazol-3-yl]-2-(4-dimethylamino-phenyl)-Show More⌵

Mol. Formula:
C21H20FN5O

M.W.:
377.42

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
73.95

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4217744

Name:
2-(4-Dimethylamino-phenyl)-N-[1-(2-methyl-benzyl)-1H-pyrazol-3-yl]-acetamidShow More⌵

Mol. Formula:
C21H24N4O

M.W.:
348.45

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4217227

Name:
N-(1-Benzyl-1H-pyrazol-3-yl)-2-(4-dimethylamino-phenyl)-acetamide

Mol. Formula:
C20H22N4O

M.W.:
334.42

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4216687

Name:
N-[1-(3,5-Difluoro-4-methoxy-benzyl)-1H-pyrazol-3-yl]-2-(4-dimethylamino-phShow More⌵

Mol. Formula:
C21H22F2N4O2

M.W.:
400.43

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
59.39

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4216279

Name:
2-(4-Dimethylamino-phenyl)-N-[1-(4-methoxy-benzyl)-1H-pyrazol-3-yl]-acetamiShow More⌵

Mol. Formula:
C21H24N4O2

M.W.:
364.45

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
59.39

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4215681

Name:
N-(1-Benzyl-1H-pyrazol-3-yl)-2-o-tolyl-acetamide

Mol. Formula:
C19H19N3O

M.W.:
305.38

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4215146

Name:
N-(1-Benzyl-1H-pyrazol-3-yl)-2-(4-trifluoromethoxy-phenyl)-acetamide

Mol. Formula:
C19H16F3N3O2

M.W.:
375.35