Compounds

ALA4228447

Name:
N-(4-(N-(3-(2-hydroxyethylamino)quinoxalin-2-yl)sulfamoyl)phenyl)acetamide

Mol. Formula:
C18H19N5O4S

M.W.:
401.45

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
133.31

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4225652

Name:
N-(4-(N-(3-(3-(trifluoromethyl)phenylamino)quinoxalin-2-yl)sulfamoyl)phenylShow More⌵

Mol. Formula:
C23H18F3N5O3S

M.W.:
501.49

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.15

Polar Surface Area:
113.08

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3764819

Name:
Butyl 7-(dimethylamino)-4-hydroxy-2-((4-methoxybenzyl)-amino)-3-oxo-3H-phenShow More⌵

Mol. Formula:
C27H29N3O6

M.W.:
491.54

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
114.13

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3765394

Name:
Methyl 2-(cyclopentylamino)-7-(dimethylamino)-4-hydroxy-3-oxo-3H-phenoxazinShow More⌵

Mol. Formula:
C21H23N3O5

M.W.:
397.43

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
104.90

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3764323

Name:
Methyl 7-(dimethylamino)-4-hydroxy-2-morpholino-3-oxo-3H-phenoxazine-1-carbShow More⌵

Mol. Formula:
C20H21N3O6

M.W.:
399.40

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
105.34

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3764205

Name:
Methyl 2-(cyclohexylamino)-7-(dimethylamino)-4-hydroxy-3-oxo-3H-phenoxazineShow More⌵

Mol. Formula:
C22H25N3O5

M.W.:
411.46

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
104.90

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3763953

Name:
Methyl 7-(dimethylamino)-4-hydroxy-3-oxo-2-(piperidin-1-yl)-3H-phenoxazine-Show More⌵

Mol. Formula:
C21H23N3O5

M.W.:
397.43

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
96.11

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3765415

Name:
Methyl 7-(dimethylamino)-4-hydroxy-2-((4-methoxybenzyl)-amino)-3-oxo-3H-pheShow More⌵

Mol. Formula:
C24H23N3O6

M.W.:
449.46

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
114.13

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3763214

Name:
Methyl 2-((3,4-dichlorophenyl)amino)-7-(dimethylamino)-4-hydroxy-3-oxo-3H-pShow More⌵

Mol. Formula:
C22H17Cl2N3O5

M.W.:
474.30

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
104.90

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3765591

Name:
Methyl 7-(dimethylamino)-4-hydroxy-2-((4-methoxy phenyl)-amino)-3-oxo-3H-phShow More⌵

Mol. Formula:
C23H21N3O6

M.W.:
435.44

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
114.13

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3765769

Name:
Methyl 7-(dimethylamino)-4-hydroxy-3-oxo-2-(p-tolylamino)-3H-phenoxazine-1-Show More⌵

Mol. Formula:
C23H21N3O5

M.W.:
419.44

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
104.90

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3764972

Name:
Methyl 7-(dimethylamino)-4-hydroxy-3-oxo-2-(phenylamino)-3H-phenoxazine-1-cShow More⌵

Mol. Formula:
C22H19N3O5

M.W.:
405.41

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
104.90

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3764713

Name:
Methyl 2-amino-7-(dimethylamino)-4-hydroxy-3-oxo-3H-phenoxazine-1-carboxylaShow More⌵

Mol. Formula:
C16H15N3O5

M.W.:
329.31

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
118.89

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS