Compounds

ALA4176684

Name:
3-chloro-7-(4-hydroxypiperidin-1-yl)-2-methyl-5-(trifluoromethyl)-1H-pyrrolShow More⌵

Mol. Formula:
C15H14ClF3N4O

M.W.:
358.75

11 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
75.94

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

PF-06869206

Name:
(S)-3-chloro-7-(2-(hydroxymethyl)morpholino)-2-methyl-5-(trifluoromethyl)-1Show More⌵

Mol. Formula:
C15H14ClF3N4O2

M.W.:
374.75

42 activity values

14 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
85.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4172584

Name:
2-methyl-7-(4-(pyridin-2-ylamino)piperidin-1-yl)-5-(trifluoromethyl)-1H-pyrShow More⌵

Mol. Formula:
C20H19F3N6

M.W.:
400.41

12 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
80.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4172179

Name:
7-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)-1H-pyrrolo[3,2-Show More⌵

Mol. Formula:
C17H16F3N5O

M.W.:
363.34

11 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
84.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4170023

Name:
N-(4-chlorophenyl)-5-methoxy-2-(3-(trifluoromethyl)phenylsulfonamido)benzamShow More⌵

Mol. Formula:
C21H16ClF3N2O4S

M.W.:
484.88

11 activity values

8 unique targets

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
84.50

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4168827

Name:
3-chloro-2-methyl-7-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(triflShow More⌵

Mol. Formula:
C19H19ClF3N5O

M.W.:
425.84

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
76.02

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4168403

Name:
4-amino-1-(3-chloro-6-cyano-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pShow More⌵

Mol. Formula:
C16H16ClF3N6O

M.W.:
400.79

14 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
124.82

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4164986

Name:
(R)-3-chloro-7-(2-(hydroxymethyl)morpholino)-2-methyl-5-(trifluoromethyl)-1Show More⌵

Mol. Formula:
C15H14ClF3N4O2

M.W.:
374.75

11 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
85.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4164691

Name:
2-methyl-7-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)-1H-pyrShow More⌵

Mol. Formula:
C18H18F3N5O

M.W.:
377.37

12 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
84.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4161567

Name:
3-chloro-2-methyl-7-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyShow More⌵

Mol. Formula:
C18H17ClF3N5O

M.W.:
411.82

11 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
84.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4160507

Name:
7-(4-aminopiperidin-1-yl)-3-chloro-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[Show More⌵

Mol. Formula:
C15H15ClF3N5

M.W.:
357.77

12 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
81.73

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4159390

Name:
N-(4-chloro-2-(2-(3-fluorobenzylidene)hydrazinecarbonyl)phenyl)-3-((2,3-dihShow More⌵

Mol. Formula:
C25H23ClFN3O4S

M.W.:
515.99

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
111.02

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS