Compounds

Type:
Small molecule

AlogP:
1.31

Polar Surface Area:
89.54

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3981459

Name:
N-tert-Butoxycarbonyl-(4-Oxocyclopent-2-enyl)-carbamic acid ethyl ester

Mol. Formula:
C13H19NO5

M.W.:
269.30

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
72.91

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3979080

Name:
(4-Oxocyclopent-2-enyl)-carbamic acid ethyl ester

Mol. Formula:
C8H11NO3

M.W.:
169.18

Type:
Small molecule

AlogP:
0.63

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA3976814

Name:
(E)-5-heptylidene-4-methylcyclopent-2-enone

Mol. Formula:
C13H20O

M.W.:
192.30

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3960495

Name:
(1S)-[4-Oxo-(E)-5-(2,4,6-trimethyl-benzylidene)-cyclopent-2-enyl]-carbamic Show More⌵

Mol. Formula:
C20H25NO3

M.W.:
327.42

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3951929

Name:
(2S)-(5-iso-Butylidene-4-oxocyclopent-2-enyl)-carbamic acid tett-butyl esteShow More⌵

Mol. Formula:
C14H21NO3

M.W.:
251.33

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA3949422

Name:
(4-Oxocyclopent-2-enyl)-carbamic acid phenyl ester

Mol. Formula:
C12H11NO3

M.W.:
217.22

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA3946735

Name:
2-Chloro-N-(4-oxo-cyclopent-2-enyl)-acetamide

Mol. Formula:
C7H8ClNO2

M.W.:
173.60

Type:
Small molecule

AlogP:
0.24

Polar Surface Area:
46.17

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.61

DETAILS

ALA3944280

Name:
N-(4-Oxocyclopent-2-enyl)-benzamide

Mol. Formula:
C12H11NO2

M.W.:
201.22

Type:
Small molecule

AlogP:
1.31

Polar Surface Area:
46.17

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA3942872

Name:
[(1R,2S)-2-(Naphthalen-2-ylsulfanyl)-4-oxocyclopentyl]-carbamic acid methylShow More⌵

Mol. Formula:
C22H19NO3S

M.W.:
377.47

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3942645

Name:
((E)-5-Benzylidene-4-oxo-cyclopent-2-enyl)-carbamic acid tert-butyl ester

Mol. Formula:
C17H19NO3

M.W.:
285.34

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3940427

Name:
(E)-4-butyl-5-(2-methylpropylidene)cyclopent-2-enone

Mol. Formula:
C13H20O

M.W.:
192.30

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3940249

Name:
[(1R,2R)-2-(Naphthalen-2-ylsulfanyl)-4-oxocyclopentyl]-carbamic acid methylShow More⌵

Mol. Formula:
C22H19NO3S

M.W.:
377.47

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3937684

Name:
(E)-5-benzylidene-4-methylcyclopent-2-enone

Mol. Formula:
C13H12O

M.W.:
184.24

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.61

DETAILS

ALA3935371

Name:
4-(phenylamino)cyclopent-2-enone

Mol. Formula:
C11H11NO

M.W.:
173.21

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA3935128

Name:
(2R)-methyl 2-(tert-butoxycarbonylamino)-3-((E)-2-methyl-3-(2-methylpropyliShow More⌵

Mol. Formula:
C19H31NO5S

M.W.:
385.53

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
81.70

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3932613

Name:
(S,E)-4-methyl-5-(4-nitrobenzylidene)cyclopent-2-enone

Mol. Formula:
C13H11NO3

M.W.:
229.24

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
60.21

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3929859

Name:
(2R)-(5-iso-Butylidene-4-oxocyclopent-2-enyl)-carbamic acid tert-butyl esteShow More⌵

Mol. Formula:
C14H21NO3

M.W.:
251.33

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.77

DETAILS

ALA3926005

Name:
(E)-5-hexylidene-4-methylcyclopent-2-enone

Mol. Formula:
C12H18O

M.W.:
178.27

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3920161

Name:
N-(5-iso-Butylidene-4-oxocyclopent-2-enyl)-benzamide

Mol. Formula:
C16H17NO2

M.W.:
255.32