Compounds

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4476584

Name:
4-(3-(Isopropylamino)azetidin-1-yl)pyrimidin-2-ami
Show More⌵

Mol. Formula:
C14H21N5O4

M.W.:
323.35

3 activity values

Type:
Unknown

AlogP:
0.25

Polar Surface Area:
67.07

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4476420

Name:
N-[4-(1-Cyclobutylpiperidin-4-yloxy)-2-methylpheny
Show More⌵

Mol. Formula:
C23H37Cl2N3O2

M.W.:
458.47

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4476221

Name:
4-(1-(7-(2-Morpholinoethyl)-7H-pyrrolo[2,3-d]pyrim
Show More⌵

Mol. Formula:
C21H32N6O2

M.W.:
400.53

Type:
Unknown

AlogP:
1.06

Polar Surface Area:
58.89

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4476179

Name:
4-([1,4'-Bipiperidin]-1'-yl)-2-chloro-7-(4-fluorob
Show More⌵

Mol. Formula:
C23H27ClFN5

M.W.:
427.95

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
37.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4476066

Name:
N-[4-(1-Cyclobutylpiperidin-4-yloxy)phenyl]-2-(1-e
Show More⌵

Mol. Formula:
C24H38Cl2N4O4

M.W.:
517.50

Type:
Unknown

AlogP:
2.79

Polar Surface Area:
74.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4475673

Name:
(1R,2S)-2-N-(4-chlorobenzyl)aminoethyl-1-(1-pipera
Show More⌵

Mol. Formula:
C16H24ClN3

M.W.:
293.84

Type:
Unknown

AlogP:
2.11

Polar Surface Area:
27.30

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4475476

Name:
(1R,2S)-2-N-(4-chlorobenzyl)aminoethyl-1-(4-methyl
Show More⌵

Mol. Formula:
C17H26ClN3

M.W.:
307.87

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
18.51

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4475205

Name:
6-Methyl-2-(4-(6-(3-methylpiperidin-1-yl)hexyloxy)
Show More⌵

Mol. Formula:
C28H35NO3

M.W.:
433.59

5 activity values

3 unique targets

Type:
Unknown

AlogP:
6.44

Polar Surface Area:
42.68

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4474399

Name:
6-Methyl-2-(4-(6-(piperidin-1-yl)hexyloxy)phenyl)-
Show More⌵

Mol. Formula:
C27H33NO3

M.W.:
419.57

9 activity values

4 unique targets

Type:
Unknown

AlogP:
6.19

Polar Surface Area:
42.68

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4474244

Name:
(8R,9S,13S,14R,15R)-13-methyl-3-(3-((S)-2-methylpy
Show More⌵

Mol. Formula:
C31H44N2O3

M.W.:
492.70

7 activity values

6 unique targets

Type:
Unknown

AlogP:
5.21

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4539015

Name:
4-(3-(Pyrrolidin-1-yl)azetidin-1-yl)pyrimidin-2-am
Show More⌵

Mol. Formula:
C15H21N5O4

M.W.:
335.36

3 activity values

Type:
Unknown

AlogP:
0.34

Polar Surface Area:
58.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4538107

Name:
1-(3-((8R,9S,13S,14S,17S)-13-methyl-17-(pyrrolidin
Show More⌵

Mol. Formula:
C29H42N2O2

M.W.:
450.67

5 activity values

4 unique targets

Type:
Unknown

AlogP:
5.40

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4525544

Name:
N-[4-(4-Cyclobutyl-piperazin-1-yl)phenyl]-2-(morph
Show More⌵

Mol. Formula:
C20H30N4O2

M.W.:
358.49

Type:
Unknown

AlogP:
1.63

Polar Surface Area:
48.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4522715

Name:
1-(3-(4-tert-pentylphenoxy)propyl)azepane

Mol. Formula:
C20H33NO

M.W.:
303.49

4 activity values

4 unique targets

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4521909

Name:
N-[4-(1-Cyclobutylpiperidin-4-yloxy)-2-methylpheny
Show More⌵

Mol. Formula:
C23H35N3O2

M.W.:
385.55

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4520938

Name:
N-[4-(1-Cyclobutylpiperidin-4-yloxy)phenyl]-2-(1,1
Show More⌵

Mol. Formula:
C21H33Cl2N3O4S

M.W.:
494.49

Type:
Unknown

AlogP:
1.75

Polar Surface Area:
78.95

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4520503

Name:
(8R,9S,13S,14R,15S)-N-ethyl-3-(3-(4-fluoropiperidi
Show More⌵

Mol. Formula:
C29H41FN2O3

M.W.:
484.66

Type:
Unknown

AlogP:
4.68

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4535766

Name:
(8R,9S,13S,14R,15S)-N-ethyl-3-(3-((R)-3-fluoropyrr
Show More⌵

Mol. Formula:
C28H39FN2O3

M.W.:
470.63

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
58.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4535363

Name:
4-Ethyl-6-(3-(methylamino)azetidin-1-yl)pyrimidin-
Show More⌵

Mol. Formula:
C10H17N5

M.W.:
207.28

3 activity values