Compounds

7 unique targets

Type:
---

AlogP:
1.58

Polar Surface Area:
103.02

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5201186

Name:
9-amino-7-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo
Show More⌵

Mol. Formula:
C10H6ClN5O3

M.W.:
279.64

3 activity values

Type:
---

AlogP:
0.50

Polar Surface Area:
126.37

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5199485

Name:
2-(1H-imidazol-1-yl)-3-nitroimidazo[1,2-a]pyrido[3
Show More⌵

Mol. Formula:
C12H7N7O3

M.W.:
297.23

4 activity values

2 unique targets

Type:
---

AlogP:
0.66

Polar Surface Area:
124.01

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5199355

Name:
(3-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)al
Show More⌵

Mol. Formula:
C11H11N2O5P

M.W.:
282.19

Type:
---

AlogP:
0.41

Polar Surface Area:
123.25

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5198336

Name:
2-chloro-5-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin
Show More⌵

Mol. Formula:
C15H9ClN2O4

M.W.:
316.70

7 unique targets

Type:
---

AlogP:
2.23

Polar Surface Area:
103.02

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5197104

Name:
2-(1H-imidazol-1-yl)-3-nitropyrido[3,2-e][1,2,4]tr
Show More⌵

Mol. Formula:
C11H6N8O3

M.W.:
298.22

1 activity values

Type:
---

AlogP:
0.06

Polar Surface Area:
136.90

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5196653

Name:
2-amino-3-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-y
Show More⌵

Mol. Formula:
C11H11N3O4

M.W.:
249.23

1 activity values

Type:
---

AlogP:
-0.90

Polar Surface Area:
118.18

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5195778

Name:
2-(3-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)
Show More⌵

Mol. Formula:
C16H12N2O4

M.W.:
296.28

Type:
---

AlogP:
1.51

Polar Surface Area:
103.02

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5193862

Name:
N-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihy
Show More⌵

Mol. Formula:
C16H9F4N3O4

M.W.:
383.26

Type:
---

AlogP:
1.94

Polar Surface Area:
104.19

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5192550

Name:
9-ethyl-2-(1H-imidazol-1-yl)-3-nitroimidazo[1,2-a]
Show More⌵

Mol. Formula:
C14H11N7O3

M.W.:
325.29

2 activity values

2 unique targets

Type:
---

AlogP:
1.23

Polar Surface Area:
124.01

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5190991

Name:
(3-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)ph
Show More⌵

Mol. Formula:
C14H11N2O5P

M.W.:
318.23

7 unique targets

Type:
---

AlogP:
0.69

Polar Surface Area:
123.25

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5188085

Name:
(S)-2-amino-3-(2,3-dioxo-1,2,3,4-tetrahydroquinoxa
Show More⌵

Mol. Formula:
C11H11N3O4

M.W.:
249.23

5 unique targets

Type:
---

AlogP:
-0.83

Polar Surface Area:
129.04

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5187440

Name:
(2-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)et
Show More⌵

Mol. Formula:
C10H11N2O5P

M.W.:
270.18

Type:
---

AlogP:
-0.06

Polar Surface Area:
123.25

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5186117

Name:
2-(2-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)
Show More⌵

Mol. Formula:
C17H12N2O4

M.W.:
308.29

Type:
---

AlogP:
2.08

Polar Surface Area:
103.02

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5184254

Name:
7-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6
Show More⌵

Mol. Formula:
C10H8N2O3

M.W.:
204.19

3 activity values

Type:
---

AlogP:
0.34

Polar Surface Area:
82.79

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5184064

Name:
2-amino-3-(carboxyformamido)propanoic acid

Cas Number:
7554-90-7

Mol. Formula:
C5H8N2O5

M.W.:
176.13

1 activity values

Type:
---

AlogP:
-2.40

Polar Surface Area:
129.72

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5180832

Name:
7-chloro-4-oxo-9-(4H-1,2,4-triazol-4-yl)-4,5-dihyd
Show More⌵

Mol. Formula:
C12H6ClN7O3

M.W.:
331.68

3 activity values

Type:
---

AlogP:
0.50

Polar Surface Area:
131.06

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5179605

Name:
(3-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)pr
Show More⌵

Mol. Formula:
C11H13N2O5P

M.W.:
284.21