Compounds

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
126.21

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2165626

Name:
(S)-N-(5-(1H-tetrazol-5-yl)pyridin-2-yl)-3-cyclopentyl-2-(4-(trifluoromethyShow More⌵

Mol. Formula:
C18H19F3N8O

M.W.:
420.40

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
114.27

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2165625

Name:
(S)-(6-(3-Cyclopentyl-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propanamido)pShow More⌵

Mol. Formula:
C17H20F3N4O4P

M.W.:
432.34

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
117.34

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2165624

Name:
(S)-6-(3-Cyclopentyl-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propanamido)pyShow More⌵

Mol. Formula:
C17H19F3N4O4S

M.W.:
432.42

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
114.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2165623

Name:
(S)-2-(6-(3-Cyclopentyl-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propanamidoShow More⌵

Mol. Formula:
C19H21F3N4O3

M.W.:
410.40

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
97.11

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2165622

Name:
(S)-2-(3-Cyclopentyl-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propanamido)isShow More⌵

Mol. Formula:
C18H19F3N4O3

M.W.:
396.37

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
97.11

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2165621

Name:
(S)-6-(3-Cyclopentyl-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propanamido)piShow More⌵

Mol. Formula:
C18H19F3N4O3

M.W.:
396.37

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
97.11

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

PF 04991532

Name:
(S)-6-(3-Cyclopentyl-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propanamido)niShow More⌵

Mol. Formula:
C18H19F3N4O3

M.W.:
396.37

101 activity values

28 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
97.11

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2165618

Name:
(S)-5-(3-Cyclopentyl-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propanamido)pyShow More⌵

Mol. Formula:
C17H18F3N5O3

M.W.:
397.36

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
110.00

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2165617

Name:
(S)-2-(3-(3-Cyclopentyl-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propanamidoShow More⌵

Mol. Formula:
C17H20F3N5O3

M.W.:
399.37

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
102.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

PF 04937319

Name:
N,N-dimethyl-5-(2-methyl-6-(5-methylpyrazin-2-ylcarbamoyl)benzofuran-4-yloxShow More⌵

Mol. Formula:
C22H20N6O4

M.W.:
432.44

72 activity values

19 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
123.34

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA359718

Name:
3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(4-methanesulfonyl-phenyl)-Show More⌵

Mol. Formula:
C17H20ClN3O3S2

M.W.:
413.95

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA427504

Name:
3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(4-morpholin-4-yl-phenyl)-uShow More⌵

Mol. Formula:
C20H25ClN4O2S

M.W.:
420.97

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
57.70

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA361324

Name:
3-(5-Chloro-thiazol-2-yl)-1-(4-cyano-phenyl)-1-cyclopentylmethyl-urea

Mol. Formula:
C17H17ClN4OS

M.W.:
360.87

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
69.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA181679

Name:
3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phenyl)-1-thiophen-3-ylmethyShow More⌵

Mol. Formula:
C16H14ClN3O3S3

M.W.:
427.96

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
79.37

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA178392

Name:
3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phenyl)-1-thiophen-2-ylmethyShow More⌵

Mol. Formula:
C16H14ClN3O3S3

M.W.:
427.96

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
79.37

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA178420

Name:
1-Cyclopentylmethyl-1-(6-methoxy-pyridin-3-yl)-3-[1,3,4]thiadiazol-2-yl-ureShow More⌵

Mol. Formula:
C15H19N5O2S

M.W.:
333.42

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
80.24

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA180605

Name:
1-Cyclopentylmethyl-1-(4-methanesulfonyl-phenyl)-3-(5-trifluoromethyl-[1,3,Show More⌵

Mol. Formula:
C17H19F3N4O3S2

M.W.:
448.49

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
92.26

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA178162

Name:
3-(5-Chloro-thiazol-2-yl)-1-(6-cyano-pyridin-3-yl)-1-cyclopentylmethyl-urea

Mol. Formula:
C16H16ClN5OS

M.W.:
361.86