Compounds

Type:
Unknown

AlogP:
5.26

Polar Surface Area:
79.46

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4593232

Name:
(S)-Methyl 3-(3-hydroxypyrrolidin-1-yl)-2-phenylquinoxaline-6-carboxylate

Mol. Formula:
C20H19N3O3

M.W.:
349.39

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
75.55

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4571069

Name:
5-(1-ethyl-1H-indazol-4-yl)-2-methyl-3-(5-methyloxazol-2-yl)-4H,7H-pyrazoloShow More⌵

Mol. Formula:
C20H18N6O2

M.W.:
374.40

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
94.01

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4561619

Name:
3-(4-Fluoro-phenyl)-5-(4-methoxy-phenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidShow More⌵

Mol. Formula:
C20H16FN3O

M.W.:
333.37

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
50.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4561156

Name:
5-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrShow More⌵

Mol. Formula:
C21H17N3O3

M.W.:
359.39

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
68.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4544269

Name:
2-amino-5-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-3-(pyridin-2-yl)pyrazolo[1Show More⌵

Mol. Formula:
C18H11F2N5O3

M.W.:
383.31

Type:
Unknown

AlogP:
2.66

Polar Surface Area:
107.53

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4520594

Name:
3-[Methyl(propan-2-yl)amino]-2-[5-(trifluoromethyl)-1-benzofuran-3-yl]quinoShow More⌵

Mol. Formula:
C22H18F3N3O3

M.W.:
429.40

Type:
Unknown

AlogP:
5.60

Polar Surface Area:
79.46

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4518943

Name:
2-(5-trifluoromethyl-1-Benzofuran-3-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quiShow More⌵

Mol. Formula:
C23H18F3N3O3

M.W.:
441.41

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
79.46

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4516487

Name:
5-(1H-Benzo[d][1,2,3]triazol-5-yl)-2-(pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pShow More⌵

Mol. Formula:
C17H12N8O

M.W.:
344.34

Type:
Unknown

AlogP:
1.34

Polar Surface Area:
117.51

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4463863

Name:
5-(1H-indazol-5-yl)-7-oxo-N-(prop-2-yn-1-yl)-4H,7H-pyrazolo[1,5-a]pyrimidinShow More⌵

Mol. Formula:
C17H12N6O2

M.W.:
332.32

4 activity values

3 unique targets

Type:
Unknown

AlogP:
0.93

Polar Surface Area:
107.94

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4461130

Name:
2-(4-Fluorophenyl)-3-(((1r,4r)-4-hydroxycyclohexyl)(methyl)amino)quinoxalinShow More⌵

Mol. Formula:
C22H22FN3O3

M.W.:
395.43

Type:
Unknown

AlogP:
3.87

Polar Surface Area:
86.55

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4455889

Name:
2-Phenyl-3-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)quinoxaline-6Show More⌵

Mol. Formula:
C25H20F3N5O2

M.W.:
479.46

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
82.45

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3715906

Name:
5-(3-ethylbenzo[d]isoxazol-6-yl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidineShow More⌵

Mol. Formula:
C16H13N5O3

M.W.:
323.31

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
119.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3716317

Name:
5-(3-methylbenzo[d]isoxazol-6-yl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidinShow More⌵

Mol. Formula:
C15H11N5O3

M.W.:
309.29

Type:
Small molecule

AlogP:
1.24

Polar Surface Area:
119.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3715030

Name:
5-(3-ethylbenzo[d]isoxazol-6-yl)-3-(5-methyloxazol-2-yl)pyrazolo[1,5-a]pyriShow More⌵

Mol. Formula:
C19H15N5O3

M.W.:
361.36

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
102.22

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3715861

Name:
5-(3-Ethylbenzo[d]isoxazol-6-yl)-3-(oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-7(Show More⌵

Mol. Formula:
C18H13N5O3

M.W.:
347.33

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
102.22

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3716198

Name:
5-(3-Methylbenzo[d]isoxazol-6-yl)-3-(5-methyloxazol-2-yl)pyrazolo[1,5-a]pyrShow More⌵

Mol. Formula:
C18H13N5O3

M.W.:
347.33

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
102.22

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3719371

Name:
5-(3-methylbenzo[d]isoxazol-6-yl)-3-(oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-7Show More⌵

Mol. Formula:
C17H11N5O3

M.W.:
333.31

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
102.22

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3718189

Name:
5-(4-chloro-3-methoxyphenyl)-2-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H,7Show More⌵

Mol. Formula:
C18H16ClN5O3

M.W.:
385.81

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
98.31

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3718403

Name:
5-(1-ethyl-1H-indazol-5-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-propyl-4H,7Show More⌵

Mol. Formula:
C21H21N7O2

M.W.:
403.45