Compounds

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
65.14

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4584442

Name:
3-Methyl-2-{[(3S,5S)-1-methyl-5-phenylpiperidin-3-yl]-amino}-3H,4H,5H-pyrroShow More⌵

Mol. Formula:
C19H23N5O

M.W.:
337.43

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
65.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4581184

Name:
2-((3S,5S)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-methylpiperidin-3-ylamShow More⌵

Mol. Formula:
C21H25N5O3

M.W.:
395.46

52 activity values

2 unique targets

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
84.41

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4579627

Name:
3-Ethyl-2-{[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]-amino}-3H,4H,5H-pyrrolShow More⌵

Mol. Formula:
C20H25N5O

M.W.:
351.45

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
65.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

L-45

Name:
(1S,2S)-N1,N1-dimethyl-N2-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-Show More⌵

Mol. Formula:
C21H24N6

M.W.:
360.47

94 activity values

45 unique targets

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
58.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4570924

Name:
2-{[(3R,5R)-5-(4-hydroxyphenyl)-1-methylpiperidin-3-yl]-amino}-3-methyl-3H,Show More⌵

Mol. Formula:
C19H23N5O2

M.W.:
353.43

Type:
Unknown

AlogP:
1.87

Polar Surface Area:
86.18

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4565832

Name:
3-Methyl-2-{[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]-nonan-3-yl]amino}-3H,4Show More⌵

Mol. Formula:
C16H23N5O

M.W.:
301.39

Type:
Unknown

AlogP:
1.69

Polar Surface Area:
65.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4556786

Name:
(1R,3r,5S)-tert-butyl 3-(3-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimiShow More⌵

Mol. Formula:
C20H29N5O3

M.W.:
387.48

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
92.25

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4547880

Name:
3-Methyl-2-{[(1R,3r,5S)-9-[(2R)-2-hydroxy-2-phenylethyl]-9-azabicyclo[3.3.1Show More⌵

Mol. Formula:
C23H29N5O2

M.W.:
407.52

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
86.18

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4545594

Name:
2-{[(3R,5R)-5-(3-bromophenyl)-1-methylpiperidin-3-yl]-amino}-3-methyl-3H,4HShow More⌵

Mol. Formula:
C19H22BrN5O

M.W.:
416.32

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
65.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4544739

Name:
3-Methyl-2-[(cis-1-methyl-6-phenylazepan-4-yl)amino]-3H,4H,5H-pyrrolo[3,2-dShow More⌵

Mol. Formula:
C20H25N5O

M.W.:
351.45

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
65.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4543497

Name:
3-Methyl-2-{[(3R,5R)-1-methyl-5-(4-phenoxyphenyl)-piperidin-3-yl]amino}-3H,Show More⌵

Mol. Formula:
C25H27N5O2

M.W.:
429.52

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
75.18

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4541223

Name:
3-Methyl-2-{[(1R,3s,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-amino}-3H,4H,5H-pyrrShow More⌵

Mol. Formula:
C15H21N5O

M.W.:
287.37

Type:
Unknown

AlogP:
1.35

Polar Surface Area:
74.74

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4539318

Name:
3-Methyl-2-{[(3R,5R)-5-phenyl-1-(prop-2-en-1-yl)-piperidin-3-yl]amino}-3H,4Show More⌵

Mol. Formula:
C21H25N5O

M.W.:
363.47

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
65.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4537244

Name:
3-(But-3-en-1-yl)-2-{[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino}-3H,4H,Show More⌵

Mol. Formula:
C22H27N5O

M.W.:
377.49

Type:
Unknown

AlogP:
3.20

Polar Surface Area:
65.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4528565

Name:
3-Methyl-2-{[(3R,5R)-5-phenyl-1-(2-phenylethyl)-piperidin-3-yl]amino}-3H,4HShow More⌵

Mol. Formula:
C26H29N5O

M.W.:
427.55

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
65.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4527339

Name:
2-{[(3R,5R)-5-[4-chloro-3-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]aShow More⌵

Mol. Formula:
C20H21ClF3N5O

M.W.:
439.87

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
65.95

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4525423

Name:
2-{[(3R,5R)-1-(2-Hydroxyethyl)-5-phenylpiperidin-3-yl]-amino}-3-methyl-3H,4Show More⌵

Mol. Formula:
C20H25N5O2

M.W.:
367.45

Type:
Unknown

AlogP:
1.52

Polar Surface Area:
86.18

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4475074

Name:
1-{1-[(2R)-3-Hydroxy-2-methylpropyl]-1H-indol-3-yl}ethan-1-one

Mol. Formula:
C14H17NO2

M.W.:
231.29