Compounds

Type:
---

AlogP:
1.85

Polar Surface Area:
109.14

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5200591

Name:
(6-Bromoquinoxaline-2,3-diyl)bis(phosphonic acid)

Mol. Formula:
C8H7BrN2O6P2

M.W.:
369.00

7 activity values

Type:
---

AlogP:
0.00

Polar Surface Area:
140.84

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5197822

Name:
Quinoxaline-2,3-diylbis(phosphonic acid)

Mol. Formula:
C8H8N2O6P2

M.W.:
290.11

2 activity values

Type:
---

AlogP:
-0.76

Polar Surface Area:
140.84

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5197153

Name:
(6,7-Dichloro-3-oxo-3,4-dihydroquinoxalin-2-yl)phosphonic Acid

Mol. Formula:
C8H5Cl2N2O4P

M.W.:
295.02

Type:
---

AlogP:
1.03

Polar Surface Area:
103.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5194964

Name:
tetraethyl (6-methylquinoxaline-2,3-diyl)bis(phosphonate)

Mol. Formula:
C17H26N2O6P2

M.W.:
416.35

Type:
---

AlogP:
3.72

Polar Surface Area:
96.84

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5193278

Name:
N-[2-[4-[(2-Fluorophenoxy)methyl]triazol-1-yl]ethyl]-2-(hydroxycarbamoyl)-4Show More⌵

Mol. Formula:
C18H24FN5O4

M.W.:
393.42

4 activity values

Type:
---

AlogP:
1.28

Polar Surface Area:
118.37

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5192818

Name:
(6-Methylquinoxaline-2,3-diyl)bis(phosphonic acid)

Mol. Formula:
C9H10N2O6P2

M.W.:
304.14

Type:
---

AlogP:
-0.46

Polar Surface Area:
140.84

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5185345

Name:
(6-Chloroquinoxaline-2,3-diyl)bis(phosphonic acid)

Mol. Formula:
C8H7ClN2O6P2

M.W.:
324.55

2 activity values

Type:
---

AlogP:
-0.11

Polar Surface Area:
140.84

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5184903

Name:
N-[2-[4-[(3-Acetamidophenoxy)methyl]triazol-1-yl]ethyl]-2-(hydroxycarbamoylShow More⌵

Mol. Formula:
C20H28N6O5

M.W.:
432.48

Type:
---

AlogP:
1.10

Polar Surface Area:
147.47

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5182205

Name:
(6-Fluoroquinoxaline-2,3-diyl)bis(phosphonic acid)

Mol. Formula:
C8H7FN2O6P2

M.W.:
308.10

Type:
---

AlogP:
-0.63

Polar Surface Area:
140.84

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5182150

Name:
tetraethyl (6-methoxyquinoxaline-2,3-diyl)bis(phosphonate)

Mol. Formula:
C17H26N2O7P2

M.W.:
432.35

Type:
---

AlogP:
3.42

Polar Surface Area:
106.07

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5180757

Name:
(6-Methoxyquinoxaline-2,3-diyl)bis(phosphonic acid)

Mol. Formula:
C9H10N2O7P2

M.W.:
320.13

Type:
---

AlogP:
-0.76

Polar Surface Area:
150.07

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5173241

Name:
Tetraethyl Quinoxaline-2,3-diylbis(phosphonate)

Mol. Formula:
C16H24N2O6P2

M.W.:
402.32

Type:
---

AlogP:
3.41

Polar Surface Area:
96.84

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5171722

Name:
N-[2-[4-[(4-Acetamidophenoxy)methyl]triazol-1-yl]ethyl]-2-(hydroxycarbamoylShow More⌵

Mol. Formula:
C20H28N6O5

M.W.:
432.48

Type:
---

AlogP:
1.10

Polar Surface Area:
147.47

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5170551

Name:
2-(Hydroxycarbamoyl)-4-methyl-N-[2-[4-(phenoxymethyl)-triazol-1-yl]ethyl]peShow More⌵

Mol. Formula:
C18H25N5O4

M.W.:
375.43