Compounds

Type:
Unknown

AlogP:
3.44

Polar Surface Area:
75.63

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4861141

Name:
2-Methyl-9-(4-trifluoromethyl-phenyl)-9H-benzo[d]i
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Mol. Formula:
C19H14F3N3O2

M.W.:
373.33

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
48.53

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4860742

Name:
(E)-3,4-Dimethyl-2-(3-(4-pentylphenyl)acrylamido)b
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Mol. Formula:
C23H27NO3

M.W.:
365.47

Type:
Unknown

AlogP:
5.39

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4860624

Name:
N,N-diethyl-2-(2-phenyl-9H-benzo[d]imidazo[1,2-a]i
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Mol. Formula:
C21H24N4

M.W.:
332.45

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
25.47

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4859261

Name:
(9-(2-(Diethylamino)ethyl)-2-methyl-9H-benzo[d]imi
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Mol. Formula:
C22H31N5O

M.W.:
381.52

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
54.57

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4859152

Name:
Methyl-9-(2-(azepan-1-yl)ethyl)-2-methyl-9H-benzo[
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Mol. Formula:
C20H26N4O2

M.W.:
354.45

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
51.77

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4858889

Name:
Tert-butyl-9-(2-(diethylamino)ethyl)-2-methyl-9H-b
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Mol. Formula:
C21H30N4O2

M.W.:
370.50

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
51.77

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4858683

Name:
(E)-2-(3-(4-Ethylphenyl)acrylamido)benzoic Acid

Mol. Formula:
C18H17NO3

M.W.:
295.34

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4858374

Name:
(E)-3-(3-(4-Pentylphenyl)acrylamido)benzoic Acid

Mol. Formula:
C21H23NO3

M.W.:
337.42

Type:
Unknown

AlogP:
4.77

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4858223

Name:
(E)-2-(3-(3'-Methyl-[1,1'-biphenyl]-4-yl)acrylamid
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Mol. Formula:
C23H19NO3

M.W.:
357.41

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4857359

Name:
(E)-5-Chloro-3-methyl-2-(3-(4-pentylphenyl)acrylam
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Mol. Formula:
C22H24ClNO3

M.W.:
385.89

Type:
Unknown

AlogP:
5.73

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4857193

Name:
(9-(2-(Diethylamino)ethyl)-2-methyl-9H-benzo[d]imi
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Mol. Formula:
C27H28N4O

M.W.:
424.55

Type:
Unknown

AlogP:
5.32

Polar Surface Area:
42.54

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4856939

Name:
(E)-4,5-Difluoro-2-(3-(4-pentylphenyl)acrylamido)b
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Mol. Formula:
C21H21F2NO3

M.W.:
373.40

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4856407

Name:
Methyl-2-methyl-9-(quinolin-2-ylmethyl)-9H-benzo[d
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Mol. Formula:
C22H18N4O2

M.W.:
370.41

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
61.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4856222

Name:
(E)-4-Methyl-2-(3-(4-pentylphenyl)acrylamido)benzo
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Mol. Formula:
C22H25NO3

M.W.:
351.45

8 activity values

4 unique targets

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4856093

Name:
(E)-5-Methyl-2-(3-(4-pentylphenyl)acrylamido)benzo
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Mol. Formula:
C22H25NO3

M.W.:
351.45

7 activity values

4 unique targets

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4878701

Name:
(E)-1-(3-(4-Pentylphenyl)acryloyl)-2,3-dihydroquin
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Mol. Formula:
C23H25NO2

M.W.:
347.46

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4878328

Name:
(E)-2-(3-(4-(Isopropylcarbamoyl)phenyl)acrylamido)
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Mol. Formula:
C20H20N2O4

M.W.:
352.39

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
95.50

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4878260

Name:
Ethyl 2-(3-(4-(trifluoromethyl)phenyl)-5,6,7,8-tet
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Mol. Formula:
C19H21F3N2O2

M.W.:
366.38

Type:
Unknown

AlogP:
4.40

Polar Surface Area:
44.12

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4878013

Name:
Methyl-2-methyl-9-(2-(pyrrolidin-1-yl)ethyl)-9H-be
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Mol. Formula:
C18H22N4O2

M.W.:
326.40