Compounds

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
64.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4522356

Name:
7-(4-(Aminomethyl)phenyl)-4-methylquinolin-2-amine
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Mol. Formula:
C17H19Cl2N3

M.W.:
336.27

13 activity values

8 unique targets

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
64.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4521790

Name:
7-(3-(Aminomethyl)-4-(cyclobutylmethoxy)phenyl)-4-
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Mol. Formula:
C22H25N3O

M.W.:
347.46

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
74.16

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4535045

Name:
7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-
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Mol. Formula:
C23H22N4O

M.W.:
370.46

12 activity values

7 unique targets

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4534970

Name:
7-(3-(Aminomethyl)-4-(thiazol-5-ylmethoxy)phenyl)-
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Mol. Formula:
C21H20N4OS

M.W.:
376.49

9 activity values

8 unique targets

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
87.05

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4531336

Name:
Rac-7-(1-Amino-2,3-dihydro-1H-inden-5-yl)-4-methyl
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Mol. Formula:
C19H21Cl2N3

M.W.:
362.30

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
64.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4555914

Name:
7-(3-(Aminomethyl)-4-(oxazol-4-ylmethoxy)phenyl)-4
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Mol. Formula:
C21H20N4O2

M.W.:
360.42

12 activity values

7 unique targets

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
100.19

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4530134

Name:
7-(3-(Aminomethyl)-4-chlorophenyl)-4-methylquinoli
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Mol. Formula:
C17H16ClN3

M.W.:
297.79

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
64.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4527163

Name:
7-(3-(Aminomethyl)-4-ethylphenyl)-4-methylquinolin
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Mol. Formula:
C19H21N3

M.W.:
291.40

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
64.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4517228

Name:
7-(2-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amin
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Mol. Formula:
C18H21Cl2N3

M.W.:
350.29

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
64.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4515973

Name:
7-(3-(Aminomethyl)-4-trifluoromethylphenyl)-4-meth
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Mol. Formula:
C18H16F3N3

M.W.:
331.34

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
64.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4576585

Name:
7-(3-(Aminomethyl)-4-(pyridin-3-ylmethoxy)phenyl)-
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Mol. Formula:
C23H22N4O

M.W.:
370.46

9 activity values

8 unique targets

Type:
Unknown

AlogP:
4.23

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4588416

Name:
7-(3-(Aminomethyl)-4-propoxyphenyl)-4-methylquinol
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Mol. Formula:
C20H23N3O

M.W.:
321.42

Type:
Unknown

AlogP:
4.04

Polar Surface Area:
74.16

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4462492

Name:
4-Methyl-7-(4-(2-(methylamino)ethyl)phenyl)quinoli
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Mol. Formula:
C19H23Cl2N3

M.W.:
364.32

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
50.94

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4460322

Name:
7-(Isoindolin-4-yl)-4-methylquinolin-2-amine Dihyd
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Mol. Formula:
C18H19Cl2N3

M.W.:
348.28

Type:
Unknown

AlogP:
3.40

Polar Surface Area:
50.94

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4459441

Name:
7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amin
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Mol. Formula:
C18H21Cl2N3

M.W.:
350.29

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
64.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4468616

Name:
3-(2-Amino-4-methylquinolin-7-yl)-5-(aminomethyl)b
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Mol. Formula:
C18H18Cl2N4

M.W.:
361.28

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
88.72

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4468534

Name:
7-(3-(Aminomethyl)-4-((5-methylisoxazol-3-yl)metho
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Mol. Formula:
C22H22N4O2

M.W.:
374.44

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
100.19

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4465991

Name:
7-(3-(Aminomethyl)-4-(thiazol-4-ylmethoxy)phenyl)-
Show More⌵

Mol. Formula:
C21H20N4OS

M.W.:
376.49