Compounds

Type:
Unknown

AlogP:
5.70

Polar Surface Area:
85.83

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4867983

Name:
3-((2-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-4-bromo-N-(3,Show More⌵

Mol. Formula:
C26H22BrN5O3

M.W.:
532.40

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
104.29

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4867891

Name:
3-((2-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-cyclohexyl-Show More⌵

Mol. Formula:
C25H27N5O

M.W.:
413.53

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
85.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4867503

Name:
3-((2-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(2,3-dihydrShow More⌵

Mol. Formula:
C27H23N5O3

M.W.:
465.51

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
104.29

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4864156

Name:
3-((2-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(3,5-dimethShow More⌵

Mol. Formula:
C26H22FN5O3

M.W.:
471.49

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
104.29

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4863547

Name:
3-((2-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(3,5-dimethShow More⌵

Mol. Formula:
C27H25N5O4

M.W.:
483.53

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
113.52

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4860192

Name:
3-((2-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-4-methyl-N-(pShow More⌵

Mol. Formula:
C24H20N6O

M.W.:
408.47

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
98.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4855118

Name:
N-(3,5-dimethoxyphenyl)-3-((2-(ethylamino)-5-(1-methyl-1H-pyrazol-4-yl)-pyrShow More⌵

Mol. Formula:
C29H29N5O3

M.W.:
495.58

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
90.30

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4854948

Name:
3-((2-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-4-methyl-N-(3Show More⌵

Mol. Formula:
C28H27N5O4

M.W.:
497.56

7 activity values

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
113.52

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4854116

Name:
3-((2-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-4-methyl-N-(3Show More⌵

Mol. Formula:
C26H20F3N5O2

M.W.:
491.47

7 activity values

Type:
Unknown

AlogP:
4.92

Polar Surface Area:
95.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4850386

Name:
3-((2-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(3,4-dimethShow More⌵

Mol. Formula:
C27H25N5O3

M.W.:
467.53

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
104.29

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4850154

Name:
3-((2-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-4-methyl-N-(4Show More⌵

Mol. Formula:
C26H20F3N5O2

M.W.:
491.47

85 activity values

28 unique targets

Type:
Unknown

AlogP:
4.92

Polar Surface Area:
95.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4847859

Name:
3-((2-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(3,5-dimethShow More⌵

Mol. Formula:
C27H25N5O3

M.W.:
467.53

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
104.29

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4845787

Name:
3-((2-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(3,4-bis(trShow More⌵

Mol. Formula:
C27H19F6N5O

M.W.:
543.47

Type:
Unknown

AlogP:
6.06

Polar Surface Area:
85.83

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4593972

Name:
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(4-Fluorophenylsulfonyl)docosa-4,7,10,13,16,19-heShow More⌵

Mol. Formula:
C28H36FNO3S

M.W.:
485.67

Type:
Unknown

AlogP:
7.11

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4592877

Name:
(4Z,7Z,10Z,13Z,16Z,19Z)-1,3-Dihydroxypropan-2-yl Docosa-4,7,10,13,16,19-hexShow More⌵

Mol. Formula:
C25H38O4

M.W.:
402.58

Type:
Unknown

AlogP:
5.36

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4591384

Name:
(4Z,7Z,10Z,13Z,16Z,19Z)-N,N-Bis(2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaeShow More⌵

Mol. Formula:
C26H41NO3

M.W.:
415.62

Type:
Unknown

AlogP:
5.28

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4589435

Name:
(4Z,7Z,10Z,13Z,16Z,19Z)-N-((4-Methoxycarbonyl)-phenylsulfonyl)docosa-4,7,10Show More⌵

Mol. Formula:
C30H39NO5S

M.W.:
525.71

Type:
Unknown

AlogP:
6.76

Polar Surface Area:
89.54

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4589046

Name:
Methyl 2-((4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenamido)acetatShow More⌵

Mol. Formula:
C25H37NO3

M.W.:
399.58

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4588377

Name:
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-Methoxyethyl)docosa-4,7,10,13,16,19-hexaenamidShow More⌵

Mol. Formula:
C25H39NO2

M.W.:
385.59