Compounds

Type:
Small molecule

AlogP:
0.10

Polar Surface Area:
64.35

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2398122

Name:
(+/-)-4-Amino-N-methoxycyclopent-1-enecarboxamide

Mol. Formula:
C7H12N2O2

M.W.:
156.19

Type:
Small molecule

AlogP:
-0.29

Polar Surface Area:
64.35

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

4-Aminocyclopent-1-enecarboxylic acid

Name:
(+/-)-4-Aminocyclopent-1-enecarboxylic acid

Mol. Formula:
C6H9NO2

M.W.:
127.14

Type:
Small molecule

AlogP:
0.12

Polar Surface Area:
63.32

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2398120

Name:
(+/-)-4-Amino-N-hydroxycyclopent-1-enecarboxamide

Mol. Formula:
C6H10N2O2

M.W.:
142.16

Type:
Small molecule

AlogP:
-0.46

Polar Surface Area:
75.35

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2398119

Name:
(+/-)-4-Amino-N-p-tolylcyclopent-1-enecarboxamide

Mol. Formula:
C13H16N2O

M.W.:
216.28

Type:
Small molecule

AlogP:
1.98

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA2398118

Name:
(+/-)-4-Amino-N-pentylcyclopent-1-enecarboxamide

Mol. Formula:
C11H20N2O

M.W.:
196.29

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2398117

Name:
(+/-)-4-Amino-N-propylcyclopent-1-enecarboxamide

Mol. Formula:
C9H16N2O

M.W.:
168.24

Type:
Small molecule

AlogP:
0.56

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.65

DETAILS

ALA2398116

Name:
(+/-)-4-Amino-N-methylcyclopent-1-enecarboxamide

Mol. Formula:
C7H12N2O

M.W.:
140.19

Type:
Small molecule

AlogP:
-0.22

Polar Surface Area:
55.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.53

DETAILS

ALA2398115

Name:
(+/-)-4-Aminocyclopent-1-enecarboxamide

Mol. Formula:
C6H10N2O

M.W.:
126.16

Type:
Small molecule

AlogP:
-0.48

Polar Surface Area:
69.11

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2398114

Name:
(+/-)-N-(Allyloxy)-4-aminocyclopent-1-enecarboxamide

Mol. Formula:
C9H14N2O2

M.W.:
182.22

Type:
Small molecule

AlogP:
0.27

Polar Surface Area:
64.35

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2337888

Name:
butyl((S)-4-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pShow More⌵

Mol. Formula:
C19H32N3O4PS

M.W.:
429.52

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
107.53

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2337485

Name:
butyl((S)-4-(11-(2-(methylamino)benzamido)undecanamido)cyclopent-1-enyl)phoShow More⌵

Mol. Formula:
C28H46N3O4P

M.W.:
519.67

Type:
Small molecule

AlogP:
6.20

Polar Surface Area:
107.53

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA2337484

Name:
butyl((S)-4-(8-(2-(methylamino)benzamido)octanamido)cyclopent-1-enyl)phosphShow More⌵

Mol. Formula:
C25H40N3O4P

M.W.:
477.59

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
107.53

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2337483

Name:
butyl((S)-4-(7-(2-(methylamino)benzamido)heptanamido)cyclopent-1-enyl)phospShow More⌵

Mol. Formula:
C24H38N3O4P

M.W.:
463.56

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
107.53

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2337480

Name:
butyl((S)-4-(5-(2-(methylamino)benzamido)pentanamido)cyclopent-1-enyl)phospShow More⌵

Mol. Formula:
C22H34N3O4P

M.W.:
435.51

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
107.53

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2337479

Name:
butyl((S)-4-(4-(2-(methylamino)benzamido)butanamido)cyclopent-1-enyl)phosphShow More⌵

Mol. Formula:
C21H32N3O4P

M.W.:
421.48

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
107.53

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2337478

Name:
butyl((S)-4-(2-(2-(methylamino)benzamido)acetamido)cyclopent-1-enyl)phosphiShow More⌵

Mol. Formula:
C19H28N3O4P

M.W.:
393.42