Compounds

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
52.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4879015

Name:
7-chloro-8-methyl-3-[1-(2,2,3,3,3-pentafluoropropy
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Mol. Formula:
C16H9ClF8N4O

M.W.:
460.71

Type:
Unknown

AlogP:
4.74

Polar Surface Area:
52.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4874614

Name:
N-methyl-N-[4-oxo-3-[1-(2,2,3,3,3-pentafluoropropy
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Mol. Formula:
C17H10F9N5O2

M.W.:
487.28

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
72.50

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5278664

Name:
5-((4R,5R)-5-(4-fluorophenyl)-4-methyl-2-oxooxazol
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Mol. Formula:
C18H12FN3O2

M.W.:
321.31

Type:
---

AlogP:
3.66

Polar Surface Area:
77.12

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4855704

Name:
7-fluoro-3-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol
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Mol. Formula:
C15H7F9N4O

M.W.:
430.23

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
52.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4868627

Name:
7-chloro-2-(trifluoromethyl)-3-[1-(3,3,3-trifluoro
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Mol. Formula:
C15H9ClF6N4O

M.W.:
410.70

Type:
Unknown

AlogP:
4.18

Polar Surface Area:
52.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4091399

Name:
rac-4-(4-chlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-
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Mol. Formula:
C20H21ClN2O4

M.W.:
388.85

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
59.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4090490

Name:
rac-3-(2,5-Dimethoxyphenyl)-5-(4-fluorophenyl)-1,3
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Mol. Formula:
C17H16FNO4

M.W.:
317.32

Type:
Small molecule

AlogP:
3.54

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4072166

Name:
1-(2,4-dichloro-5-hydroxybenzyl)-3-methyl-1H-benzo
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Mol. Formula:
C15H12Cl2N2O2

M.W.:
323.18

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
47.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4069465

Name:
rac-3-(2,4-Dichlorobenzyl)-5-(4-fluorophenyl)-1,3-
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Mol. Formula:
C16H12Cl2FNO2

M.W.:
340.18

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4063561

Name:
rac-3-(2,4-Dichloro-5-hydroxybenzyl)-5-phenyl-1,3-
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Mol. Formula:
C16H13Cl2NO3

M.W.:
338.19

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
49.77

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4872983

Name:
7-methyl-3-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol
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Mol. Formula:
C16H10F8N4O

M.W.:
426.27

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
52.19

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3608803

Name:
2-amino-N-(3,5-dichlorophenyl)benzamide

Mol. Formula:
C13H10Cl2N2O

M.W.:
281.14

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3608802

Name:
2-amino-N-(2-chlorophenyl)benzamide

Cas Number:
838-77-7

Mol. Formula:
C13H11ClN2O

M.W.:
246.70

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3608801

Name:
N-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indazol
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Mol. Formula:
C14H9ClF3N3O

M.W.:
327.69

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
49.94

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3608800

Name:
N-(3-chlorophenyl)-5-methoxy-1H-indazol-3-amine

Mol. Formula:
C14H12ClN3O

M.W.:
273.72

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
49.94

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3608799

Name:
N-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-
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Mol. Formula:
C14H9ClF3N3

M.W.:
311.69

Type:
Small molecule

AlogP:
4.98

Polar Surface Area:
40.71

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3608798

Name:
N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine

Mol. Formula:
C14H12ClN3

M.W.:
257.72

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
40.71

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3608797

Name:
5-bromo-N-(3-chlorophenyl)-1H-indazol-3-amine

Mol. Formula:
C13H9BrClN3

M.W.:
322.59

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
40.71

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3608796

Name:
5-chloro-N-(3-chlorophenyl)-1H-indazol-3-amine

Mol. Formula:
C13H9Cl2N3

M.W.:
278.14