Compounds

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
125.01

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4582324

Name:
1-(1-(tert-butylcarbamoyl)piperidin-4-yl)-N-(4-(6-methoxypyrazolo[1,5-a]pyrShow More⌵

Mol. Formula:
C34H38N8O4

M.W.:
622.73

7 activity values

Type:
Unknown

AlogP:
5.65

Polar Surface Area:
134.89

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4577049

Name:
1-(1-(tert-butylcarbamoyl)piperidin-4-yl)-N-(3-methyl-4-(pyrazolo[1,5-a]pyrShow More⌵

Mol. Formula:
C33H36N8O3

M.W.:
592.70

8 activity values

Type:
Unknown

AlogP:
5.64

Polar Surface Area:
125.66

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4559531

Name:
1-((1-(tert-butylcarbamoyl)azetidin-3-yl)methyl)-N-(3-chloro-4-(6-oxo-1,6-dShow More⌵

Mol. Formula:
C27H28ClN7O3

M.W.:
534.02

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
125.01

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4555519

Name:
1-(1-(tert-butylcarbamoyl)piperidin-4-yl)-N-(3-chloro-4-(6-oxo-1,6-dihydropShow More⌵

Mol. Formula:
C28H30ClN7O3

M.W.:
548.05

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
125.01

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4545269

Name:
1-(1-(3-cyano-3-methylbutanoyl)piperidin-4-yl)-N-(3-methyl-4-(pyrazolo[1,5-Show More⌵

Mol. Formula:
C34H34N8O3

M.W.:
602.70

8 activity values

Type:
Unknown

AlogP:
5.60

Polar Surface Area:
137.42

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4537527

Name:
1-(1-(tert-butylcarbamoyl)piperidin-4-yl)-N-(3-chloro-4-(6-methoxypyrazolo[Show More⌵

Mol. Formula:
C33H34ClFN8O4

M.W.:
661.14

11 activity values

Type:
Unknown

AlogP:
6.13

Polar Surface Area:
134.89

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4518970

Name:
1-(1-(tert-butylcarbamoyl)piperidin-4-yl)-N-(3-chloro-4-(4-methyl-6-oxo-1,6Show More⌵

Mol. Formula:
C29H32ClN7O3

M.W.:
562.07

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
125.01

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4483095

Name:
1-(1-(tert-butylcarbamoyl)piperidin-4-yl)-N-(4-(pyrazolo[1,5-a]pyridine-3-cShow More⌵

Mol. Formula:
C32H34N8O3

M.W.:
578.68

7 activity values

Type:
Unknown

AlogP:
5.33

Polar Surface Area:
125.66

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4469360

Name:
(N-(4-(6-methoxypyrazolo[1,5-a]pyridine-3-carboxamido)-3-methylphenyl)-1-meShow More⌵

Mol. Formula:
C25H22N6O3

M.W.:
454.49

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
102.55

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

Src Inhibitor 3

Name:
N-(3-chloro-4-(6-methoxypyrazolo[1,5-a]pyridine-3-carboxamido)phenyl)-1-(1-Show More⌵

Mol. Formula:
C34H32ClFN8O4

M.W.:
671.13

23 activity values

6 unique targets

Type:
Unknown

AlogP:
6.09

Polar Surface Area:
146.65

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4443654

Name:
1-(1-(tert-butylcarbamoyl)piperidin-4-yl)-N-(3-chloro-4-(pyrazolo[1,5-a]pyrShow More⌵

Mol. Formula:
C32H33ClN8O3

M.W.:
613.12

7 activity values

Type:
Unknown

AlogP:
5.99

Polar Surface Area:
125.66

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4437906

Name:
1-(1-(tert-butylcarbamoyl)piperidin-4-yl)-N-(4-(4,5-dimethyl-6-oxo-1,6-dihyShow More⌵

Mol. Formula:
C32H39N7O3

M.W.:
569.71

10 activity values

Type:
Unknown

AlogP:
5.36

Polar Surface Area:
125.01

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2382016

Name:
(3,3',3'',3''',3''''-((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-5,11,17,23,29-Show More⌵

Mol. Formula:
C85H110N30O10

M.W.:
1712.02

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1762530

Name:
(3-((2-(3,5-dimorpholinophenylamino)pyrimidin-4-yl)(methyl)amino)-4-methylpShow More⌵

Mol. Formula:
C27H34N6O3

M.W.:
490.61

39 activity values

18 unique targets

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
86.22

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA219473

Name:
4-((S)-2-(hydroxycarbamoyl)-2-aminoethyl)phenylboronic acid

Mol. Formula:
C9H13BN2O4

M.W.:
224.03

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA219199

Name:
(S)-2-amino-3-(4-azidophenyl)-N-hydroxypropanamide

Mol. Formula:
C9H11N5O2

M.W.:
221.22

Type:
Small molecule

AlogP:
1.00

Polar Surface Area:
124.11

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA555149

Name:
(S)-2-amino-3-(4-cyanophenyl)-N-hydroxypropanamide

Mol. Formula:
C10H11N3O2

M.W.:
205.22

Type:
Small molecule

AlogP:
-0.07

Polar Surface Area:
99.14

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA219917

Name:
(S)-2-amino-3-(4-aminophenyl)-N-hydroxypropanamide

Mol. Formula:
C9H13N3O2

M.W.:
195.22