Compounds

Type:
Unknown

AlogP:
4.40

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4476122

Name:
4-(2-Methylene-5-oxo-2,5-dihydro-1H-pyrrol-3-yl)be
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Mol. Formula:
C12H9NO3

M.W.:
215.21

Type:
Unknown

AlogP:
1.41

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4474499

Name:
3-oxo-N-phenylundecanamide

Mol. Formula:
C17H25NO2

M.W.:
275.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
46.17

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4474127

Name:
4-(4-bromophenyl)-1-(4-chlorophenyl)-5-methylene-1
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Mol. Formula:
C17H11BrClNO

M.W.:
360.64

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4540376

Name:
4-(4-Fluorophenyl)-1,5-dihydro-2H-pyrrol-2-one

Mol. Formula:
C10H8FNO

M.W.:
177.18

Type:
Unknown

AlogP:
1.34

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA4534489

Name:
5-Methylene-4-(p-tolyl)-1,5-dihydro-2H-pyrrol-2-on
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Mol. Formula:
C12H11NO

M.W.:
185.23

Type:
Unknown

AlogP:
2.02

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.71

DETAILS

ALA4533617

Name:
1-Benzyl-4-(2-fluorophenyl)-5-methylene-1,5-dihydr
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Mol. Formula:
C18H14FNO

M.W.:
279.31

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4532966

Name:
4-(4-Bromophenyl)-5-methylene-1,5-dihydro-2H-pyrro
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Mol. Formula:
C11H8BrNO

M.W.:
250.09

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA4560146

Name:
4-(2-Chlorophenyl)-5-methylene-1,5-dihydro-2H-pyrr
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Mol. Formula:
C11H8ClNO

M.W.:
205.64

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA4560102

Name:
5-Methylene-4-phenyl-1,5-dihydro-2H-pyrrol-2-one

Mol. Formula:
C11H9NO

M.W.:
171.20

Type:
Unknown

AlogP:
1.71

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.68

DETAILS

ALA4556605

Name:
1-(3-bromophenyl)-4-(2-fluorophenyl)-5-methylene-1
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Mol. Formula:
C17H11BrFNO

M.W.:
344.18

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4555225

Name:
1-(4-chlorophenyl)-4-(2-fluorophenyl)-5-methylene-
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Mol. Formula:
C17H11ClFNO

M.W.:
299.73

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4553358

Name:
4-(4-Fluorophenyl)-5-methylene-1,5-dihydro-2H-pyrr
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Mol. Formula:
C11H8FNO

M.W.:
189.19

Type:
Unknown

AlogP:
1.85

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA4551820

Name:
4-(4-bromophenyl)-5-methylene-1-phenyl-1H-pyrrol-2
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Mol. Formula:
C17H12BrNO

M.W.:
326.19

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4569752

Name:
3-(1-(4-ethylphenyl)-1H-1,2,3-triazol-4-yl)-N-(2-p
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Mol. Formula:
C27H25N5O

M.W.:
435.53

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.55

Polar Surface Area:
75.60

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4567159

Name:
4-(2-Fluorophenyl)-3-methyl-5-methylene-1,5-dihydr
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Mol. Formula:
C12H10FNO

M.W.:
203.22

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA4516326

Name:
4-(4-Chlorophenyl)-5-methylene-1,5-dihydro-2H-pyrr
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Mol. Formula:
C11H8ClNO

M.W.:
205.64

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA4515988

Name:
4-(4-Methoxyphenyl)-5-methylene-1,5-dihydro-2H-pyr
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Mol. Formula:
C12H11NO2

M.W.:
201.22

Type:
Unknown

AlogP:
1.72

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA4515642

Name:
1-(4-bromophenyl)-4-(2-fluorophenyl)-5-methylene-1
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Mol. Formula:
C17H11BrFNO

M.W.:
344.18

Type:
Unknown

AlogP:
4.53

Polar Surface Area:
20.31

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4549124

Name:
1-(benzo[b]thiophen-3-yl)-4-(4-bromophenyl)-5-meth
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Mol. Formula:
C19H12BrNOS

M.W.:
382.28