Compounds

ALA5268549

Name:
ethyl (2S)-3-hydroxy-2-[(3-hydroxybenzoyl)amino]propanoate

Mol. Formula:
C12H15NO5

M.W.:
253.25

Type:
---

AlogP:
0.05

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5282318

Name:
ethyl (2S)-3-hydroxy-2-[(2-hydroxybenzoyl)amino]propanoate

Mol. Formula:
C12H15NO5

M.W.:
253.25

Type:
---

AlogP:
0.05

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5282083

Name:
ethyl (2S)-3-hydroxy-2-[(4-hydroxybenzoyl)amino]propanoate

Mol. Formula:
C12H15NO5

M.W.:
253.25

Type:
---

AlogP:
0.05

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5280862

Name:
2-((4-methoxypyridin-2-yl)amino)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-caShow More⌵

Mol. Formula:
C15H14N6O

M.W.:
294.32

Type:
---

AlogP:
2.37

Polar Surface Area:
88.13

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5278316

Name:
2-[(2Z)-2-[5-oxo-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]hydrazino]benzoic aShow More⌵

Mol. Formula:
C16H13N5O5S

M.W.:
387.38

Type:
---

AlogP:
0.83

Polar Surface Area:
154.52

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5278118

Name:
5-amino-3-((4-methoxypyridin-2-yl)amino)-1H-pyrazole-4-carbonitrile

Mol. Formula:
C10H10N6O

M.W.:
230.23

Type:
---

AlogP:
1.01

Polar Surface Area:
112.64

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5275045

Name:
5-hydroxy-2-((4-methoxypyridin-2-yl)amino)-7-(methylthio)pyrazolo[1,5-a]pyrShow More⌵

Mol. Formula:
C15H11N7O2S

M.W.:
353.37

Type:
---

AlogP:
2.05

Polar Surface Area:
132.15

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5274868

Name:
5-amino-2-((4-methoxypyridin-2-yl)amino)-7-(methylthio)pyrazolo[1,5-a]pyrimShow More⌵

Mol. Formula:
C15H12N8OS

M.W.:
352.38

Type:
---

AlogP:
1.92

Polar Surface Area:
137.94

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5274157

Name:
N-(furan-2-ylmethylene)-2-((1-(4-(methylsulfonyl)phenyl)-3-(methylthio)-1H-Show More⌵

Mol. Formula:
C20H18N6O4S2

M.W.:
470.54

Type:
---

AlogP:
2.59

Polar Surface Area:
132.34

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5273924

Name:
ethyl (2S)-2-benzamido-3-hydroxy-propanoate

Mol. Formula:
C12H15NO4

M.W.:
237.25

Type:
---

AlogP:
0.34

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5286507

Name:
2-[(4Z)-5-oxo-4-[(4-sulfamoylphenyl)hydrazono]pyrazol-1-yl]benzoic acid

Mol. Formula:
C16H13N5O5S

M.W.:
387.38

Type:
---

AlogP:
0.83

Polar Surface Area:
154.52

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5196243

Name:
2,2,2-trifluoroethyl 6-hydroxy-1-methyl-3-phenyl-1H-indole-7-carboxylate

Mol. Formula:
C18H14F3NO3

M.W.:
349.31

4 activity values

2 unique targets

Type:
---

AlogP:
4.27

Polar Surface Area:
51.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5267419

Name:
7-amino-5-ethoxy-2-((4-methoxypyridin-2-yl)amino)pyrazolo[1,5-a]pyrimidine-Show More⌵

Mol. Formula:
C15H15N7O2

M.W.:
325.33

Type:
---

AlogP:
1.73

Polar Surface Area:
123.38

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5266517

Name:
7-ethoxy-2-((4-methoxypyridin-2-yl)amino)-5-methylpyrazolo[1,5-a]pyrimidineShow More⌵

Mol. Formula:
C16H16N6O2

M.W.:
324.34

Type:
---

AlogP:
2.46

Polar Surface Area:
97.36

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5208808

Name:
2-(2-(1-(4-fluorophenyl)-2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrol-3-yl)acetShow More⌵

Mol. Formula:
C21H21FN4O6S

M.W.:
476.49

13 activity values

5 unique targets

Type:
---

AlogP:
2.11

Polar Surface Area:
146.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5205245

Name:
2,2,2-trifluoroethyl 6-methoxy-1-methyl-3-(phenylcarbamoyl)-1H-indole-7-carShow More⌵

Mol. Formula:
C20H17F3N2O4

M.W.:
406.36

4 activity values

2 unique targets

Type:
---

AlogP:
4.16

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5204951

Name:
2,2,2-trifluoroethyl 3-ethyl-6-hydroxy-1-methyl-1H-indole-7-carboxylate

Mol. Formula:
C14H14F3NO3

M.W.:
301.26

4 activity values

2 unique targets

Type:
---

AlogP:
3.17

Polar Surface Area:
51.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5202753

Name:
2,2,2-trifluoroethyl 6-methoxy-1-methyl-3-phenyl-1H-indole-7-carboxylate

Mol. Formula:
C19H16F3NO3

M.W.:
363.33

12 activity values

10 unique targets

Type:
---

AlogP:
4.57

Polar Surface Area:
40.46

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5200803

Name:
2,2,2-trifluoroethyl 6-hydroxy-4-(3-hydroxypropyl)-1-methyl-1H-indole-7-carShow More⌵

Mol. Formula:
C15H16F3NO4

M.W.:
331.29

17 activity values

11 unique targets

Type:
---

AlogP:
2.53

Polar Surface Area:
71.69

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5198246

Name:
2,2,2-trifluoroethyl 7-hydroxy-1-methyl-1H-indole-6-carboxylate

Mol. Formula:
C12H10F3NO3

M.W.:
273.21

6 activity values

2 unique targets

Type:
---

AlogP:
2.60

Polar Surface Area:
51.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS