Compounds

Type:
Small molecule

AlogP:
5.21

Polar Surface Area:
27.05

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3309267

Name:
5-(-4'-methylphenyl)-1,3-diphenylpyrazole

Mol. Formula:
C22H18N2

M.W.:
310.40

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3309806

Name:
5-(-4'-nitrophenyl)-1,3-diphenylpyrazole

Mol. Formula:
C21H15N3O2

M.W.:
341.37

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
60.96

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3309805

Name:
5-(-4'-bromophenyl)-1,3-diphenylpyrazole

Mol. Formula:
C21H15BrN2

M.W.:
375.27

Type:
Small molecule

AlogP:
5.97

Polar Surface Area:
17.82

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3309803

Name:
5-(-4'-methoxyphenyl)-3-phenyl-2-pyrazoline

Mol. Formula:
C16H16N2O

M.W.:
252.32

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3309802

Name:
5-(-4'-methylphenyl)-3-phenyl-2-pyrazoline

Mol. Formula:
C16H16N2

M.W.:
236.32

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3309801

Name:
5-(-4'-nitrophenyl)-3-phenyl-2-pyrazoline

Mol. Formula:
C15H13N3O2

M.W.:
267.29

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
67.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3309800

Name:
5-(-4'-bromophenyl)-3-phenyl-2-pyrazoline

Mol. Formula:
C15H13BrN2

M.W.:
301.19

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA3309798

Name:
N-acetyl-5-(-4'-nitrophenyl)-3-phenyl-2-pyrazoline

Mol. Formula:
C17H15N3O3

M.W.:
309.33

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
75.81

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3309797

Name:
5-(-4'-bromophenyl)-1,3-diphenyl-2-pyrazoline

Mol. Formula:
C21H17BrN2

M.W.:
377.29

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
15.60

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3309796

Name:
5-(-4'-nitrophenyl)-1,3-diphenyl-2-pyrazoline

Mol. Formula:
C21H17N3O2

M.W.:
343.39

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
58.74

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3309795

Name:
4-methoxychalconephenylhydrazone

Mol. Formula:
C22H20N2O

M.W.:
328.42

Type:
Small molecule

AlogP:
5.22

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3309794

Name:
4-methylchalconephenylhydrazone

Mol. Formula:
C22H20N2

M.W.:
312.42

Type:
Small molecule

AlogP:
5.52

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3309619

Name:
4-nitrochalconephenylhydrazone

Mol. Formula:
C21H17N3O2

M.W.:
343.39

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
67.53

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA3309618

Name:
4-bromochalconephenylhydrazone

Mol. Formula:
C21H17BrN2

M.W.:
377.29

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3309616

Name:
Chalconephenylhydrazone

Mol. Formula:
C21H18N2

M.W.:
298.39