Compounds

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
78.97

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4877396

Name:
N-(3-(2-Amino-5-methoxyphenyl)-3-oxopropyl)benzimi
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Mol. Formula:
C17H19N3O2

M.W.:
297.36

6 activity values

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
88.20

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4874735

Name:
N-(3-(2-Aminophenyl)-3-oxopropyl)acetimidamide

Mol. Formula:
C11H15N3O

M.W.:
205.26

4 activity values

Type:
Unknown

AlogP:
1.43

Polar Surface Area:
78.97

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4872412

Name:
N-(3-(2-Amino-5-chlorophenyl)-3-oxopropyl)acetimid
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Mol. Formula:
C11H14ClN3O

M.W.:
239.71

6 activity values

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
78.97

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4871907

Name:
N-(3-(2-Amino-5-methoxyphenyl)-3-oxopropyl)acetimi
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Mol. Formula:
C12H17N3O2

M.W.:
235.29

4 activity values

Type:
Unknown

AlogP:
1.44

Polar Surface Area:
88.20

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4871725

Name:
N-(3-(2-Aminophenyl)-3-hydroxypropyl)acetimidamide

Mol. Formula:
C11H17N3O

M.W.:
207.28

Type:
Unknown

AlogP:
1.28

Polar Surface Area:
82.13

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4868600

Name:
N-(3-(2-Amino-5-methoxyphenyl)-3-oxopropyl)-4-chlo
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Mol. Formula:
C17H18ClN3O2

M.W.:
331.80

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
88.20

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4868558

Name:
N-(3-(2-Aminophenyl)-3-oxopropyl)-4-chlorobenzimid
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Mol. Formula:
C16H16ClN3O

M.W.:
301.78

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
78.97

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4867622

Name:
N-(3-(2-Amino-5-methoxyphenyl)-3-hydroxypropyl)-4-
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Mol. Formula:
C18H20F3N3O2

M.W.:
367.37

7 activity values

4 unique targets

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
91.36

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4863680

Name:
N-(3-(2-Amino-5-chlorophenyl)-3-hydroxypropyl)acet
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Mol. Formula:
C11H16ClN3O

M.W.:
241.72

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
82.13

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4856945

Name:
N-(3-(2-Aminophenyl)-3-hydroxypropyl)-4-chlorobenz
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Mol. Formula:
C16H18ClN3O

M.W.:
303.79

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
82.13

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4861016

Name:
N-(3-(2-Amino-5-methoxyphenyl)-3-hydroxypropyl)ace
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Mol. Formula:
C12H19N3O2

M.W.:
237.30

Type:
Unknown

AlogP:
1.29

Polar Surface Area:
91.36

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4849749

Name:
N-(3-(2-Aminophenyl)-3-oxopropyl)benzimidamide

Mol. Formula:
C16H17N3O

M.W.:
267.33

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
78.97

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4548400

Name:
6-(5-(3-(Dimethylamino)propyl)-2,3,4-trifluorophen
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Mol. Formula:
C19H24F3N3

M.W.:
351.42

10 activity values

7 unique targets

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4853752

Name:
N-(3-(2-Aminophenyl)-3-hydroxypropyl)-4-(trifluoro
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Mol. Formula:
C17H18F3N3O

M.W.:
337.35

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
82.13

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4852683

Name:
N-(3-(2-Amino-5-methoxyphenyl)-3-hydroxypropyl)-4-
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Mol. Formula:
C17H20ClN3O2

M.W.:
333.82

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
91.36

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4851427

Name:
N-(3-(2-Amino-5-methoxyphenyl)-3-hydroxypropyl)ben
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Mol. Formula:
C17H21N3O2

M.W.:
299.37

6 activity values

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
91.36

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4850749

Name:
N-(3-(2-Aminophenyl)-3-hydroxypropyl)benzimidamide

Mol. Formula:
C16H19N3O

M.W.:
269.35

Type:
Unknown

AlogP:
2.31

Polar Surface Area:
82.13

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4532683

Name:
(S)-6-(2,3-Difluoro-5-(2-(1-methylpyrrolidin-2-yl)
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Mol. Formula:
C21H27F2N3

M.W.:
359.46

13 activity values

8 unique targets

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
42.15

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4649559

Name:
N-(4-fluorobenzyl)ethanimidamide hydrobromide

Mol. Formula:
C9H12BrFN2

M.W.:
247.11

3 activity values