Compounds

2 unique targets

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
98.10

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4520134

Name:
(R)-(3-(4-Amino-6-methyl-1H-imidazo[4,5-c]pyridin-
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Mol. Formula:
C29H39N7O

M.W.:
501.68

23 activity values

7 unique targets

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
85.21

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4553357

Name:
(3-(6-Amino-2-methyl-9H-purin-9-yl)-3-methylazetid
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Mol. Formula:
C27H40N10O

M.W.:
520.69

2 activity values

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
114.23

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4743828

Name:
5-[2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-y
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Mol. Formula:
C28H38N6O2

M.W.:
490.65

Type:
Unknown

AlogP:
2.36

Polar Surface Area:
80.81

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4743558

Name:
N-(3-(Pyrrolidin-1-yl)propyl)-2-(o-tolyl)isonicoti
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Mol. Formula:
C20H25N3O

M.W.:
323.44

Type:
Unknown

AlogP:
3.27

Polar Surface Area:
45.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4743519

Name:
N-(2-Hydroxy-3-(pyrrolidin-1-yl)propyl)-6-o-tolyl-
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Mol. Formula:
C21H25N5O2

M.W.:
379.46

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
94.14

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4741918

Name:
5-[2-[4-(cyclopropanecarbonylamino)butylcarbamoyl]
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Mol. Formula:
C28H37N5O3

M.W.:
491.64

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
103.43

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4740553

Name:
5-[2-[4-[2-(4-isobutylphenyl)propanoyl]piperazin-1
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Mol. Formula:
C36H47N5O2

M.W.:
581.81

Type:
Unknown

AlogP:
5.62

Polar Surface Area:
68.78

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4776089

Name:
5-[2-(4-aminobutylcarbamoyl)phenyl]-N-(3-pyrrolidi
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Mol. Formula:
C24H33N5O2

M.W.:
423.56

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
100.35

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4762575

Name:
6-(2-Methoxyphenyl)-N-(3-(pyrrolidin-1-yl)propyl)-
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Mol. Formula:
C21H25N5O2

M.W.:
379.46

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
83.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4762323

Name:
N-(3-(Dimethylamino)propyl)-6-o-tolyl-1H-pyrazolo[
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Mol. Formula:
C19H23N5O

M.W.:
337.43

Type:
Unknown

AlogP:
2.61

Polar Surface Area:
73.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4762057

Name:
N-(2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)-
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Mol. Formula:
C22H26N2O2

M.W.:
350.46

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
50.36

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4761781

Name:
5-[2-(octylcarbamoyl)phenyl]-N-(3-pyrrolidin-1-ylp
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Mol. Formula:
C28H40N4O2

M.W.:
464.65

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
74.33

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4761722

Name:
3-[1-[4-(3-methylindol-1-yl)butyl]triazol-4-yl]-N-
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Mol. Formula:
C29H36N6O

M.W.:
484.65

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
67.98

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4761059

Name:
5-[2-[1-[3-(3,4-dichlorophenyl)propanoyl]azetidin-
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Mol. Formula:
C31H34Cl2N4O3

M.W.:
581.54

Type:
Unknown

AlogP:
5.49

Polar Surface Area:
74.77

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4758985

Name:
5-[2-(4-indol-1-ylbutylcarbamoyl)phenyl]-N-(3-pyrr
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Mol. Formula:
C32H37N5O2

M.W.:
523.68

Type:
Unknown

AlogP:
5.13

Polar Surface Area:
79.26

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4777185

Name:
5-[2-[1-[2-(3,4-dichlorophenyl)acetyl]azetidin-3-y
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Mol. Formula:
C30H32Cl2N4O3

M.W.:
567.52

Type:
Unknown

AlogP:
5.10

Polar Surface Area:
74.77

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4776702

Name:
4-(aminomethyl)-N-(4-chlorophenyl)-1-(3-cyclopropy
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Mol. Formula:
C21H24ClN7O

M.W.:
425.92

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
112.82

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4776502

Name:
6-(2-Chlorophenyl)-N-(3-(pyrrolidin-1-yl)propyl)-1
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Mol. Formula:
C20H22ClN5O

M.W.:
383.88

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
73.91

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4590955

Name:
(3-(6-Amino-2-methyl-9H-purin-9-yl)azetidin-1-yl)(
Show More⌵

Mol. Formula:
C27H39N9O

M.W.:
505.67

2 activity values