Compounds

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
82.09

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4764496

Name:
(3R,4R)-1-(5,6-difluoro-1-((5-methylpyridin-2-yl)methyl)-1H-benzo[d]imidazoShow More⌵

Mol. Formula:
C19H20F3N5

M.W.:
375.40

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
59.97

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4753871

Name:
(3R,4R)-4-fluoro-1-(5-fluoro-1-((5-fluoropyrimidin-2-yl)methyl)-1H-benzo[d]Show More⌵

Mol. Formula:
C17H17F3N6

M.W.:
362.36

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
72.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4752852

Name:
(R)-1-(1-((5-chloropyridin-2-yl)methyl)-5-fluoro-1H-benzo[d]imidazol-2-yl)-Show More⌵

Mol. Formula:
C18H17ClF3N5

M.W.:
395.82

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
59.97

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4746182

Name:
(3R,4R)-4-fluoro-1-(6-fluoro-1-((5-fluoropyridin-2-yl)methyl)-1H-benzo[d]imShow More⌵

Mol. Formula:
C18H18F3N5

M.W.:
361.37

Type:
Unknown

AlogP:
2.63

Polar Surface Area:
59.97

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4741505

Name:
(3R,4R)-4-fluoro-1-(6-fluoro-1-((5-fluoropyrimidin-2-yl)methyl)-1H-benzo[d]Show More⌵

Mol. Formula:
C17H17F3N6

M.W.:
362.36

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
72.86

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4567792

Name:
(1S,4S,4aR,8aS)-4-((R)-3-hydroxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-meShow More⌵

Mol. Formula:
C21H35NO3

M.W.:
349.52

2 unique targets

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
72.55

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4458930

Name:
(R)-5-((1S,4S,4aS,8aR)-4-(carbamoyloxy)-5,5,8a-trimethyl-2-methylenedecahydShow More⌵

Mol. Formula:
C23H37NO4

M.W.:
391.55

2 unique targets

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
78.62

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4130214

Name:
4-((1S,2R,3R)-3-((R)-3-aminopiperidin-1-yl)-6-oxobicyclo[3.2.0]heptan-2-yloShow More⌵

Mol. Formula:
C19H23N3O2

M.W.:
325.41

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
79.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4129913

Name:
4-((1R,2R,3aR,5S,7aS)-2-((R)-3-aminopiperidin-1-yl)-5-hydroxy-7a-methyloctaShow More⌵

Mol. Formula:
C22H31N3O2

M.W.:
369.51

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
82.51

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

SAR7334

Name:
4-((1R,2R)-2-((R)-3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yloxy)-3-chShow More⌵

Mol. Formula:
C21H22ClN3O

M.W.:
367.88

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
3.68

Polar Surface Area:
62.28

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4129805

Name:
4-[(1R,2R,3aR,4S,7S,7aR)-2-((R)-3-Amino-piperidin-1-yl)-6-oxo-octahydro-4,7Show More⌵

Mol. Formula:
C22H27N3O2

M.W.:
365.48

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
79.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4129456

Name:
4-((1R,2R,3aR,7aS)-2-((R)-3-aminopiperidin-1-yl)-5-fluoro-7a-methyl-2,3,3a,Show More⌵

Mol. Formula:
C22H28FN3O

M.W.:
369.48

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
62.28

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4129133

Name:
4-((1R,2R)-2-((R)-3-aminopiperidin-1-yl)cyclopentyloxy)benzonitrile

Mol. Formula:
C17H23N3O

M.W.:
285.39

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
62.28

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4129002

Name:
4-((1R,2R,3aS,5S,7aS)-2-((R)-3-aminopiperidin-1-yl)-5-(difluoromethyl)-7a-mShow More⌵

Mol. Formula:
C23H31F2N3O

M.W.:
403.52

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
62.28

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4128782

Name:
4-((1R,2R,3aR,7aS)-2-((R)-3-aminopiperidin-1-yl)-5-(methoxyimino)-7a-methylShow More⌵

Mol. Formula:
C23H32N4O2

M.W.:
396.54

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
83.87

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4128079

Name:
4-((1R,2R,3aR,7aS)-2-((R)-3-aminopiperidin-1-yl)-5,5-difluoro-7a-methyloctaShow More⌵

Mol. Formula:
C22H29F2N3O

M.W.:
389.49

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
62.28

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4127992

Name:
4-((1R,2R,3aR,5S,7aS)-2-((R)-3-aminopiperidin-1-yl)-5-methoxy-7a-methyloctaShow More⌵

Mol. Formula:
C23H33N3O2

M.W.:
383.54