Compounds

Type:
Unknown

AlogP:
1.34

Polar Surface Area:
75.35

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4871376

Name:
2-(2-(3-benzyl-2-oxoquinoxalin-1(2H)-yl)acetyl)hydrazinecarbothioamide

Mol. Formula:
C18H17N5O2S

M.W.:
367.43

10 activity values

Type:
Unknown

AlogP:
0.85

Polar Surface Area:
102.04

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4869899

Name:
2-(3-benzyl-2-oxoquinoxalin-1(2H)-yl)-N'-(1,3-dioxo-1H-inden-2(3H)-ylidene)Show More⌵

Mol. Formula:
C26H18N4O4

M.W.:
450.45

Type:
Unknown

AlogP:
1.37

Polar Surface Area:
110.49

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4867940

Name:
2-(2-hydroxyethylamino)ethyl 2-(3-benzyl-2-oxoquinoxalin-1(2H)-yl)acetate

Mol. Formula:
C21H23N3O4

M.W.:
381.43

Type:
Unknown

AlogP:
1.11

Polar Surface Area:
93.45

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4866360

Name:
ethyl 2-(3-benzyl-2-oxoquinoxalin-1(2H)-yl)acetate

Mol. Formula:
C19H18N2O3

M.W.:
322.36

Type:
Unknown

AlogP:
2.55

Polar Surface Area:
61.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4863152

Name:
3-benzyl-1-(3-chloro-2-hydroxypropyl)quinoxalin-2(1H)-one

Mol. Formula:
C18H17ClN2O2

M.W.:
328.80

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
55.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4862110

Name:
ethyl 2-(2-(3-benzyl-2-oxoquinoxalin-1(2H)-yl)acetyl)hydrazinecarboxylate

Mol. Formula:
C20H20N4O4

M.W.:
380.40

11 activity values

Type:
Unknown

AlogP:
1.76

Polar Surface Area:
102.32

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4860725

Name:
3-benzyl-1-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)quinoxalin-2(Show More⌵

Mol. Formula:
C24H19N5OS

M.W.:
425.52

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
65.60

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4859702

Name:
2-(3-benzyl-2-oxoquinoxalin-1(2H)-yl)-N-(4-(N-carbamimidoylsulfamoyl)phenylShow More⌵

Mol. Formula:
C24H22N6O4S

M.W.:
490.55

Type:
Unknown

AlogP:
1.80

Polar Surface Area:
160.03

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4859527

Name:
1-((4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-3-benzylquinoxalin-2(1Show More⌵

Mol. Formula:
C18H16N6OS

M.W.:
364.43

Type:
Unknown

AlogP:
1.63

Polar Surface Area:
91.62

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4859228

Name:
3-benzyl-1-((5-mercapto-1,3,4-oxadiazol-2-yl)methyl)quinoxalin-2(1H)-one

Mol. Formula:
C18H14N4O2S

M.W.:
350.40

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
73.81

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4859089

Name:
2-(3-benzyl-2-oxoquinoxalin-1(2H)-yl)acetohydrazide

Mol. Formula:
C17H16N4O2

M.W.:
308.34

Type:
Unknown

AlogP:
0.98

Polar Surface Area:
90.01

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4855717

Name:
1-(2-(3-benzyl-2-oxoquinoxalin-1(2H)-yl)acetyl)pyrazolidine-3,5-dione

Mol. Formula:
C20H16N4O4

M.W.:
376.37

Type:
Unknown

AlogP:
0.78

Polar Surface Area:
101.37

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4852596

Name:
2-(2-(3-benzyl-2-oxoquinoxalin-1(2H)-yl)acetyl)-N-phenylhydrazinecarbothioaShow More⌵

Mol. Formula:
C24H21N5O2S

M.W.:
443.53

10 activity values

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
88.05

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4851891

Name:
(E)-2-(3-benzyl-2-oxoquinoxalin-1(2H)-yl)-N'-(2-hydroxybenzylidene)acetohydShow More⌵

Mol. Formula:
C24H20N4O3

M.W.:
412.45

Type:
Unknown

AlogP:
2.84

Polar Surface Area:
96.58

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4850796

Name:
1-((1,3,4-oxadiazol-2-yl)methyl)-3-benzylquinoxalin-2(1H)-one

Mol. Formula:
C18H14N4O2

M.W.:
318.34

Type:
Unknown

AlogP:
2.42

Polar Surface Area:
73.81

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4846007

Name:
1,1'-(4-amino-4H-1,2,4-triazole-3,5-diyl)bis(methylene)bis(3-benzylquinoxalShow More⌵

Mol. Formula:
C34H28N8O2

M.W.:
580.65

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
126.51

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA2086635

Name:
N'-((1H-pyrrol-2-yl)methylene)-2-(4-chloro-2-methylphenoxy)acetohydrazide

Mol. Formula:
C14H14ClN3O2

M.W.:
291.74

3 activity values

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
66.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2086627

Name:
2-(2,4-dichlorophenoxy)-N'-(2-hydroxybenzylidene)acetohydrazide

Mol. Formula:
C15H12Cl2N2O3

M.W.:
339.18

3 activity values

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
70.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2086618

Name:
2-(2,4-dichlorophenoxy)-N'-((5-methyl-1H-pyrrol-2-yl)methylene)acetohydraziShow More⌵

Mol. Formula:
C14H13Cl2N3O2

M.W.:
326.18

3 activity values