Compounds

Type:
Unknown

AlogP:
0.72

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4648436

Name:
(S,E)-N'-(2,5-difluorobenzylidene)-5-oxopyrrolidin
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Mol. Formula:
C12H11F2N3O2

M.W.:
267.24

Type:
Unknown

AlogP:
0.69

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4648220

Name:
rac-5-(2-(2,5-difluorophenyl)hydrazinyl)pyrrolidin
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Mol. Formula:
C10H11F2N3O

M.W.:
227.21

Type:
Unknown

AlogP:
1.12

Polar Surface Area:
53.16

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.68

DETAILS

ALA4648192

Name:
rac-5-(2-(4-(trifluoromethyl)phenyl)hydrazinyl)pyr
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Mol. Formula:
C11H12F3N3O

M.W.:
259.23

Type:
Unknown

AlogP:
1.86

Polar Surface Area:
53.16

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA4647886

Name:
(S,E)-N'-(2-hydroxybenzylidene)-5-oxopyrrolidine-2
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Mol. Formula:
C12H13N3O3

M.W.:
247.25

Type:
Unknown

AlogP:
0.12

Polar Surface Area:
90.79

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4647823

Name:
(S,E)-N'-(4-methoxybenzylidene)-5-oxopyrrolidine-2
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Mol. Formula:
C13H15N3O3

M.W.:
261.28

Type:
Unknown

AlogP:
0.42

Polar Surface Area:
79.79

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4647709

Name:
(S,E)-N'-(2,6-dichlorobenzylidene)-5-oxopyrrolidin
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Mol. Formula:
C12H11Cl2N3O2

M.W.:
300.14

Type:
Unknown

AlogP:
1.72

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4647640

Name:
(S,E)-5-oxo-N'-(3-phenylpropylidene)pyrrolidine-2-
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Mol. Formula:
C14H17N3O2

M.W.:
259.31

Type:
Unknown

AlogP:
1.00

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4646875

Name:
(S,E)-N'-(4-nitrobenzylidene)-5-oxopyrrolidine-2-c
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Mol. Formula:
C12H12N4O4

M.W.:
276.25

Type:
Unknown

AlogP:
0.32

Polar Surface Area:
113.70

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4649391

Name:
(2S,E)-N'-((6,6-dimethylbicyclo[3.1.1]hept-2-en-2-
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Mol. Formula:
C15H21N3O2

M.W.:
275.35

Type:
Unknown

AlogP:
1.36

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4644822

Name:
(S,E)-N'-benzylidene-5-oxopyrrolidine-2-carbohydra
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Mol. Formula:
C12H13N3O2

M.W.:
231.25

15 activity values

Type:
Unknown

AlogP:
0.42

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4643892

Name:
(S,E)-N'-(4-bromobenzylidene)-5-oxopyrrolidine-2-c
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Mol. Formula:
C12H12BrN3O2

M.W.:
310.15

18 activity values

Type:
Unknown

AlogP:
1.18

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4642908

Name:
(2S,E)-5-oxo-N'-((4-(prop-1-en-2-yl)cyclohex-1-eny
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Mol. Formula:
C15H21N3O2

M.W.:
275.35

Type:
Unknown

AlogP:
1.67

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4642611

Name:
(S,E)-N'-(4-hydroxy-3-methoxybenzylidene)-5-oxopyr
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Mol. Formula:
C13H15N3O4

M.W.:
277.28

Type:
Unknown

AlogP:
0.13

Polar Surface Area:
100.02

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4642211

Name:
(S,E)-N'-((6-chloropyridin-3-yl)methylene)-5-oxopy
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Mol. Formula:
C11H11ClN4O2

M.W.:
266.69

Type:
Unknown

AlogP:
0.46

Polar Surface Area:
83.45

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4642000

Name:
(S,E)-N'-(4-chlorobenzylidene)-5-oxopyrrolidine-2-
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Mol. Formula:
C12H12ClN3O2

M.W.:
265.70

Type:
Unknown

AlogP:
1.07

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4640838

Name:
(S,E)-N'-(2-nitrobenzylidene)-5-oxopyrrolidine-2-c
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Mol. Formula:
C12H12N4O4

M.W.:
276.25

Type:
Unknown

AlogP:
0.32

Polar Surface Area:
113.70

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4640586

Name:
(S,E)-N'-(2-chloro-3-(trifluoromethyl)benzylidene)
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Mol. Formula:
C13H11ClF3N3O2

M.W.:
333.70

Type:
Unknown

AlogP:
2.09

Polar Surface Area:
70.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4640299

Name:
(S,E)-N'-((5-(hydroxymethyl)furan-2-yl)methylene)-
Show More⌵

Mol. Formula:
C11H13N3O4

M.W.:
251.24

Type:
Unknown

AlogP:
-0.50

Polar Surface Area:
103.93

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4640275

Name:
rac-5-(2-Phenylhydrazinyl)pyrrolidin-2-one

Mol. Formula:
C10H13N3O

M.W.:
191.23

21 activity values