Compounds

ALA5268907

Name:
N-(3-iodophenyl)-3-oxododecanamide

Mol. Formula:
C18H26INO2

M.W.:
415.31

Type:
---

AlogP:
5.33

Polar Surface Area:
46.17

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5280601

Name:
(S,E)-2-((4-(3-(3-methoxyphenyl)acryloyl)phenyl)amino)-N-(2-oxotetrahydrofuShow More⌵

Mol. Formula:
C22H22N2O5

M.W.:
394.43

Type:
---

AlogP:
2.43

Polar Surface Area:
93.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5278841

Name:
(S,E)-2-((4-(3-(4-bromo-2-fluorophenyl)acryloyl)phenyl)amino)-N-(2-oxotetraShow More⌵

Mol. Formula:
C21H18BrFN2O4

M.W.:
461.29

Type:
---

AlogP:
3.33

Polar Surface Area:
84.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5278377

Name:
N-(3-methoxyphenyl)-3-oxododecanamide

Mol. Formula:
C19H29NO3

M.W.:
319.44

Type:
---

AlogP:
4.73

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5276204

Name:
(S,E)-2-((4-(3-(2-bromophenyl)acryloyl)phenyl)amino)-N-(2-oxotetrahydrofuraShow More⌵

Mol. Formula:
C21H19BrN2O4

M.W.:
443.30

Type:
---

AlogP:
3.19

Polar Surface Area:
84.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5273161

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

Mol. Formula:
C21H20N2O4

M.W.:
364.40

Type:
---

AlogP:
2.43

Polar Surface Area:
84.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5285099

Name:
(S,E)-2-((4-(3-(4-fluorophenyl)acryloyl)phenyl)amino)-N-(2-oxotetrahydrofurShow More⌵

Mol. Formula:
C21H19FN2O4

M.W.:
382.39

Type:
---

AlogP:
2.57

Polar Surface Area:
84.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5284855

Name:
(S,E)-2-((4-(3-(3,5-dichlorophenyl)acryloyl)phenyl)amino)-N-(2-oxotetrahydrShow More⌵

Mol. Formula:
C21H18Cl2N2O4

M.W.:
433.29

Type:
---

AlogP:
3.73

Polar Surface Area:
84.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5283130

Name:
(S,E)-2-((4-(3-(2-chlorophenyl)acryloyl)phenyl)amino)-N-(2-oxotetrahydrofurShow More⌵

Mol. Formula:
C21H19ClN2O4

M.W.:
398.85

Type:
---

AlogP:
3.08

Polar Surface Area:
84.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5289392

Name:
(Z)-4-bromo-5-(bromomethylene)-2(5H)-furanone

Mol. Formula:
C7H6Br2O2

M.W.:
281.93

Type:
---

AlogP:
2.84

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.64

DETAILS

ALA5288514

Name:
(S,E)-2-((4-(3-(4-chlorophenyl)acryloyl)phenyl)amino)-N-(2-oxotetrahydrofurShow More⌵

Mol. Formula:
C21H19ClN2O4

M.W.:
398.85

Type:
---

AlogP:
3.08

Polar Surface Area:
84.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5288036

Name:
(S,E)-2-((4-(3-(4-bromophenyl)acryloyl)phenyl)amino)-N-(2-oxotetrahydrofuraShow More⌵

Mol. Formula:
C21H19BrN2O4

M.W.:
443.30

Type:
---

AlogP:
3.19

Polar Surface Area:
84.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5267270

Name:
(S,E)-2-((4-(3-(3,4-dichlorophenyl)acryloyl)phenyl)amino)-N-(2-oxotetrahydrShow More⌵

Mol. Formula:
C21H18Cl2N2O4

M.W.:
433.29

Type:
---

AlogP:
3.73

Polar Surface Area:
84.50

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5267206

Name:
N-(4-methoxyphenyl)-3-oxododecanamide

Mol. Formula:
C19H29NO3

M.W.:
319.44

Type:
---

AlogP:
4.73

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5190145

Name:
N-(1H-benzo[d]imidazol-2-yl)-2-(4-(4-nitrophenyl)-4H-1l4,2,3-triazol-1-yl)aShow More⌵

Mol. Formula:
C17H13N7O3

M.W.:
363.34

4 activity values

2 unique targets

Type:
---

AlogP:
2.37

Polar Surface Area:
131.63

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4583701

Name:
(S)-N-(2-oxotetrahydrofuran-3-yl)-2-(p-tolylthio)acetamide

Mol. Formula:
C13H15NO3S

M.W.:
265.33

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.52

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4549418

Name:
3-oxo-N-phenylpentanamide

Mol. Formula:
C11H13NO2

M.W.:
191.23

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.99

Polar Surface Area:
46.17

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4544667

Name:
N-(3-methoxyphenyl)-3-oxopentanamide

Mol. Formula:
C12H15NO3

M.W.:
221.26

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.00

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4538227

Name:
N-nonyl-3-oxo-4-phenyl-butanamide

Mol. Formula:
C19H29NO2

M.W.:
303.45

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
46.17

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4522587

Name:
3-oxo-N-(2-oxocyclohexyl)pentanamide

Mol. Formula:
C11H17NO3

M.W.:
211.26

3 activity values

2 unique targets

Type:
Unknown

AlogP:
0.98

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS