Compounds

Type:
---

AlogP:
2.26

Polar Surface Area:
40.29

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5197784

Name:
1-(5-(2-chlorophenyl)furan-2-yl)-N-((3-(3-fluoropyrrolidin-1-yl)oxetan-3-ylShow More⌵

Mol. Formula:
C19H22ClFN2O2

M.W.:
364.85

4 activity values

3 unique targets

Type:
---

AlogP:
3.50

Polar Surface Area:
37.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5197389

Name:
5-hydroxy-1-(4-((N-methylsulfamoyl)methyl)phenyl)-1H-pyrazole-4-carboxylic Show More⌵

Mol. Formula:
C12H13N3O5S

M.W.:
311.32

Type:
---

AlogP:
0.33

Polar Surface Area:
121.52

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5196700

Name:
1-(3-(pyrrolidin-1-yl)oxetan-3-yl)-N-(3-(trifluoromethyl)benzyl)methanamine

Mol. Formula:
C16H21F3N2O

M.W.:
314.35

Type:
---

AlogP:
2.66

Polar Surface Area:
24.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5196488

Name:
5-hydroxy-1-(2-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid

Mol. Formula:
C11H7F3N2O3

M.W.:
272.18

Type:
---

AlogP:
2.29

Polar Surface Area:
75.35

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5196291

Name:
methyl 5-hydroxy-1-(4-((N-methylsulfamoyl)methyl)phenyl)-1H-pyrazole-3-carbShow More⌵

Mol. Formula:
C13H15N3O5S

M.W.:
325.35

Type:
---

AlogP:
0.41

Polar Surface Area:
110.52

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5205984

Name:
1-(3-(3-fluoropyrrolidin-1-yl)oxetan-3-yl)-N-((5-methyl-1H-indol-3-yl)methyShow More⌵

Mol. Formula:
C18H24FN3O

M.W.:
317.41

Type:
---

AlogP:
2.38

Polar Surface Area:
40.29

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

5-Oxo-1-phenyl-2，5-dihydro-1H-pyrazole-3-carboxylic acid

Name:
5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylic acid

Mol. Formula:
C10H8N2O3

M.W.:
204.19

Type:
---

AlogP:
1.28

Polar Surface Area:
75.35

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5205753

Name:
5-(4-fluorophenyl)-1-(4-((N-methylsulfamoyl)methyl)phenyl)-1H-pyrazole-3-caShow More⌵

Mol. Formula:
C18H16FN3O4S

M.W.:
389.41

Type:
---

AlogP:
2.43

Polar Surface Area:
101.29

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5205687

Name:
1-(5-(3-chloro-4-methoxyphenyl)furan-2-yl)-N-((3-(pyrrolidin-1-yl)oxetan-3-Show More⌵

Mol. Formula:
C20H25ClN2O3

M.W.:
376.88

Type:
---

AlogP:
3.56

Polar Surface Area:
46.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5205465

Name:
5-hydroxy-1-(4-methyl-3-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic aShow More⌵

Mol. Formula:
C12H9F3N2O3

M.W.:
286.21

Type:
---

AlogP:
2.60

Polar Surface Area:
75.35

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5205133

Name:
5-hydroxy-1-(4-((pyrrolidin-1-ylsulfonyl)methyl)phenyl)-1H-pyrazole-3-carboShow More⌵

Mol. Formula:
C15H17N3O5S

M.W.:
351.38

Type:
---

AlogP:
1.20

Polar Surface Area:
112.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5204291

Name:
1-(5-methyl-1H-indol-3-yl)-N-((3-(pyrrolidin-1-yl)oxetan-3-yl)methyl)methanShow More⌵

Mol. Formula:
C18H25N3O

M.W.:
299.42

Type:
---

AlogP:
2.43

Polar Surface Area:
40.29

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5203668

Name:
1-(6-fluoro-1H-indol-3-yl)-N-((3-(3-fluoropyrrolidin-1-yl)oxetan-3-yl)methyShow More⌵

Mol. Formula:
C17H21F2N3O

M.W.:
321.37

Type:
---

AlogP:
2.21

Polar Surface Area:
40.29

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5203605

Name:
5-hydroxy-1-(3-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid

Mol. Formula:
C11H7F3N2O3

M.W.:
272.18

17 activity values

4 unique targets

Type:
---

AlogP:
2.29

Polar Surface Area:
75.35

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5203551

Name:
5-hydroxy-1-(4-(methylsulfonamidomethyl)phenyl)-1H-pyrazole-3-carboxylic acShow More⌵

Mol. Formula:
C12H13N3O5S

M.W.:
311.32

Type:
---

AlogP:
0.33

Polar Surface Area:
121.52

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5202184

Name:
1-(3,4-dimethylphenyl)-5-hydroxy-1H-pyrazole-3-carboxylic acid

Mol. Formula:
C12H12N2O3

M.W.:
232.24

Type:
---

AlogP:
1.89

Polar Surface Area:
75.35

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5201520

Name:
1-(4-((N-(4-fluorobenzyl)sulfamoyl)methyl)phenyl)-5-hydroxy-1H-pyrazole-3-cShow More⌵

Mol. Formula:
C18H16FN3O5S

M.W.:
405.41

Type:
---

AlogP:
2.03

Polar Surface Area:
121.52

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5201436

Name:
5-ethyl-1-(4-((N-methylsulfamoyl)methyl)phenyl)-1H-pyrazole-3-carboxylic acShow More⌵

Mol. Formula:
C14H17N3O4S

M.W.:
323.37