Compounds

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4859212

Name:
2-(4-chlorobenzoyl)-N-(4-methoxyphenyl)-1,2,3,4-te
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Mol. Formula:
C24H21ClN2O3

M.W.:
420.90

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4858876

Name:
2-(4-chlorobenzoyl)-N-(4-(trifluoromethyl)phenyl)-
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Mol. Formula:
C24H18ClF3N2O2

M.W.:
458.87

Type:
Unknown

AlogP:
5.74

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4858314

Name:
N-(4-methoxyphenyl)isoquinoline-1-carboxamide

Mol. Formula:
C17H14N2O2

M.W.:
278.31

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4857829

Name:
N-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydrois
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Mol. Formula:
C17H15F3N2O

M.W.:
320.31

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4857406

Name:
N-(2-methoxyphenyl)isoquinoline-1-carboxamide

Mol. Formula:
C17H14N2O2

M.W.:
278.31

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4857384

Name:
N-(3,5-bis(trifluoromethyl)phenyl)isoquinoline-1-c
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Mol. Formula:
C18H10F6N2O

M.W.:
384.28

Type:
Unknown

AlogP:
5.52

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4879352

Name:
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
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Mol. Formula:
C17H18N2O2

M.W.:
282.34

Type:
Unknown

AlogP:
2.52

Polar Surface Area:
50.36

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.91

DETAILS

ALA4878926

Name:
N-(2-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydrois
Show More⌵

Mol. Formula:
C17H15F3N2O

M.W.:
320.31

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4877951

Name:
N-(2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline
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Mol. Formula:
C16H16N2O2

M.W.:
268.32

Type:
Unknown

AlogP:
2.22

Polar Surface Area:
61.36

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4877863

Name:
N-(4-hydroxyphenyl)isoquinoline-1-carboxamide

Mol. Formula:
C16H12N2O2

M.W.:
264.28

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4876684

Name:
N-(3,5-bis(trifluoromethyl)phenyl)-2-(4-chlorobenz
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Mol. Formula:
C25H17ClF6N2O2

M.W.:
526.86

Type:
Unknown

AlogP:
6.76

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4875813

Name:
2-(4-chlorobenzoyl)-N-(2-(trifluoromethyl)phenyl)-
Show More⌵

Mol. Formula:
C24H18ClF3N2O2

M.W.:
458.87

Type:
Unknown

AlogP:
5.74

Polar Surface Area:
49.41

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4875778

Name:
2-(4-chlorobenzoyl)-N-(2-methoxyphenyl)-1,2,3,4-te
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Mol. Formula:
C24H21ClN2O3

M.W.:
420.90

8 activity values

7 unique targets

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4875275

Name:
N-(3-(trifluoromethyl)phenyl)isoquinoline-1-carbox
Show More⌵

Mol. Formula:
C17H11F3N2O

M.W.:
316.28

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4850071

Name:
N-(2-hydroxyphenyl)isoquinoline-1-carboxamide

Mol. Formula:
C16H12N2O2

M.W.:
264.28

Type:
Unknown

AlogP:
3.19

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4849921

Name:
N-(3-chlorophenyl)isoquinoline-1-carboxamide

Mol. Formula:
C16H11ClN2O

M.W.:
282.73

Type:
Unknown

AlogP:
4.14

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4849116

Name:
2-(4-chlorobenzoyl)-N-(3-hydroxyphenyl)-1,2,3,4-te
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Mol. Formula:
C23H19ClN2O3

M.W.:
406.87

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
69.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4848786

Name:
N-(2-(trifluoromethyl)phenyl)isoquinoline-1-carbox
Show More⌵

Mol. Formula:
C17H11F3N2O

M.W.:
316.28

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4846820

Name:
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
Show More⌵

Mol. Formula:
C17H18N2O2

M.W.:
282.34