Compounds

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
72.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4757784

Name:
N-(2-nitrophenyl)hexanamide

Mol. Formula:
C12H16N2O3

M.W.:
236.27

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
72.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4754649

Name:
N-phenylhexanamide

Mol. Formula:
C12H17NO

M.W.:
191.27

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4579576

Name:
(S)-4-cyclohexyl-3-oxo-N-(2-oxotetrahydrofuran-3-yl)butanamide

Mol. Formula:
C14H21NO4

M.W.:
267.32

Type:
Unknown

AlogP:
1.35

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4571277

Name:
(S)-2-(4-chlorophenyl)-N-(2-oxotetrahydrofuran-3-yl)acetamide

Mol. Formula:
C12H12ClNO3

M.W.:
253.69

2 unique targets

Type:
Unknown

AlogP:
1.31

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.83

DETAILS

ALA4561684

Name:
2-oxo-N-(2-oxotetrahydrofuran-3-yl)-3-phenylpropane-1-sulfonamide

Mol. Formula:
C13H15NO5S

M.W.:
297.33

Type:
Unknown

AlogP:
0.03

Polar Surface Area:
89.54

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4535946

Name:
(S)-5-methyl-3-oxo-N-(2-oxotetrahydrofuran-3-yl)hexanamide

Mol. Formula:
C11H17NO4

M.W.:
227.26

Type:
Unknown

AlogP:
0.42

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4527540

Name:
N-[(3S)-2-oxotetrahydrothiophen-3-yl]decanamide

Mol. Formula:
C14H25NO2S

M.W.:
271.43

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4517457

Name:
(S)-4-cyclopentyl-3-oxo-N-(2-oxotetrahydrofuran-3-yl)butanamide

Mol. Formula:
C13H19NO4

M.W.:
253.30

Type:
Unknown

AlogP:
0.96

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4473171

Name:
N-(2-oxotetrahydrofuran-3-yl)nonane-1-sulfonamide

Mol. Formula:
C13H25NO4S

M.W.:
291.41

Type:
Unknown

AlogP:
1.97

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4435377

Name:
2-oxo-N-(2-oxotetrahydrofuran-3-yl)pentane-1-sulfonamide

Mol. Formula:
C9H15NO5S

M.W.:
249.29

Type:
Unknown

AlogP:
-0.41

Polar Surface Area:
89.54

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4434909

Name:
N-(2-oxotetrahydrofuran-3-yl)-1-phenylmethanesulfonamide

Mol. Formula:
C11H13NO4S

M.W.:
255.29

Type:
Unknown

AlogP:
0.42

Polar Surface Area:
72.47

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2063602

Name:
2-(1-Dodecyl-1H-1,2,3-triazol-4-yl)acetic acid

Mol. Formula:
C16H29N3O2

M.W.:
295.43

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2063601

Name:
2-(1-Pentyl-1H-1,2,3-triazol-4-yl)acetic acid

Mol. Formula:
C9H15N3O2

M.W.:
197.24

Type:
Small molecule

AlogP:
1.10

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2062537

Name:
Ethyl 2-(1-dodecyl-1H-1,2,3-triazol-4-yl)acetate

Mol. Formula:
C18H33N3O2

M.W.:
323.48

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2063600

Name:
Ethyl 2-(1-pentyl-1H-1,2,3-triazol-4-yl)acetate

Mol. Formula:
C11H19N3O2

M.W.:
225.29

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
57.01

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2063599

Name:
N-Hydroxy-2-(4-pentyl-1H-1,2,3-triazol-1-yl)acetamide

Mol. Formula:
C9H16N4O2

M.W.:
212.25

Type:
Small molecule

AlogP:
0.52

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2063598

Name:
2-(4-Pentyl-1H-1,2,3-triazol-1-yl)acetamide

Mol. Formula:
C9H16N4O

M.W.:
196.25

Type:
Small molecule

AlogP:
0.50

Polar Surface Area:
73.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2063597

Name:
2-(4-Dodecyl-1H-1,2,3-triazol-1-yl)acetic acid

Mol. Formula:
C16H29N3O2

M.W.:
295.43

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
68.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2063596

Name:
2-(4-Pentyl-1H-1,2,3-triazol-1-yl)acetic acid

Mol. Formula:
C9H15N3O2

M.W.:
197.24