Compounds

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

ALA5209212

Name:
5-hydroxy-1-(4-(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

ALA5208226

Name:
1-(3-(3-fluoropyrrolidin-1-yl)oxetan-3-yl)-N-((5-phenylfuran-2-yl)methyl)meShow More⌵

Mol. Formula:
C19H23FN2O2

M.W.:
330.40

Type:
---

AlogP:
2.85

Polar Surface Area:
37.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5208142

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

Mol. Formula:
C10H7BrN2O3

M.W.:
283.08

Type:
---

AlogP:
2.04

Polar Surface Area:
75.35

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5208141

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

Mol. Formula:
C18H16ClN3O4S

M.W.:
405.86

Type:
---

AlogP:
2.94

Polar Surface Area:
101.29

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5208073

Name:
N-((1H-indol-3-yl)methyl)-1-(3-(pyrrolidin-1-yl)oxetan-3-yl)methanamine

Mol. Formula:
C17H23N3O

M.W.:
285.39

Type:
---

AlogP:
2.12

Polar Surface Area:
40.29

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5208008

Name:
1-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-N-((3-(pyrrolidin-1-ylShow More⌵

Mol. Formula:
C20H22ClF3N2O2

M.W.:
414.86

Type:
---

AlogP:
4.57

Polar Surface Area:
37.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5207866

Name:
1-(3-(pyrrolidin-1-yl)oxetan-3-yl)-N-(4-((trifluoromethyl)thio)benzyl)methaShow More⌵

Mol. Formula:
C16H21F3N2OS

M.W.:
346.42

Type:
---

AlogP:
3.25

Polar Surface Area:
24.50

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5207797

Name:
N-(3,4-dimethylbenzyl)-1-(3-(pyrrolidin-1-yl)oxetan-3-yl)methanamine

Mol. Formula:
C17H26N2O

M.W.:
274.41

Type:
---

AlogP:
2.26

Polar Surface Area:
24.50

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5207507

Name:
5-hydroxy-1-(m-tolyl)-1H-pyrazole-3-carboxylic acid

Mol. Formula:
C11H10N2O3

M.W.:
218.21

Type:
---

AlogP:
1.58

Polar Surface Area:
75.35

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5206378

Name:
5-hydroxy-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxylic acid

Mol. Formula:
C11H7F3N2O4

M.W.:
288.18

Type:
---

AlogP:
2.17

Polar Surface Area:
84.58

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

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