Compounds

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2289708

Name:
(S)-propyl 2-cinnamamido-4-methylpentanoate

Mol. Formula:
C18H25NO3

M.W.:
303.40

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2289707

Name:
(S)-ethyl 2-cinnamamido-4-methylpentanoate

Mol. Formula:
C17H23NO3

M.W.:
289.38

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2289706

Name:
(S)-methyl 2-cinnamamido-4-methylpentanoate

Cas Number:
127852-93-1

Mol. Formula:
C16H21NO3

M.W.:
275.35

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2289705

Name:
(S)-ethyl 2-cinnamamido-3-methylbutanoate

Mol. Formula:
C16H21NO3

M.W.:
275.35

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2289704

Name:
(S)-methyl 2-cinnamamido-3-methylbutanoate

Cas Number:
127750-57-6

Mol. Formula:
C15H19NO3

M.W.:
261.32

Type:
Small molecule

AlogP:
2.01

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2289703

Name:
isopropyl 2-cinnamamidoacetate

Mol. Formula:
C14H17NO3

M.W.:
247.29

3 activity values

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2289702

Name:
propyl 2-cinnamamidoacetate

Mol. Formula:
C14H17NO3

M.W.:
247.29

3 activity values

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2289701

Name:
(S)-propyl 2-cinnamamidopropanoate

Mol. Formula:
C15H19NO3

M.W.:
261.32

Type:
Small molecule

AlogP:
2.16

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2289700

Name:
(S)-ethyl 2-cinnamamidopropanoate

Mol. Formula:
C14H17NO3

M.W.:
247.29

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2289699

Name:
(S)-methyl 2-cinnamamidopropanoate

Mol. Formula:
C13H15NO3

M.W.:
233.27

Type:
Small molecule

AlogP:
1.38

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2289698

Name:
(S)-methyl 2-(3-(2,4-dichlorophenyl)acrylamido)-3-
Show More⌵

Mol. Formula:
C15H17Cl2NO3

M.W.:
330.21

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2289697

Name:
isopropyl 2-(3-(2,4-dichlorophenyl)acrylamido)acet
Show More⌵

Mol. Formula:
C14H15Cl2NO3

M.W.:
316.18

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2289696

Name:
propyl 2-(3-(2,4-dichlorophenyl)acrylamido)acetate

Mol. Formula:
C14H15Cl2NO3

M.W.:
316.18

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2289695

Name:
(S)-propyl 2-(3-(2,4-dichlorophenyl)acrylamido)pro
Show More⌵

Mol. Formula:
C15H17Cl2NO3

M.W.:
330.21

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2289694

Name:
(S)-ethyl 2-(3-(2,4-dichlorophenyl)acrylamido)prop
Show More⌵

Mol. Formula:
C14H15Cl2NO3

M.W.:
316.18

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2289693

Name:
(S)-methyl 2-(3-(2,4-dichlorophenyl)acrylamido)pro
Show More⌵

Mol. Formula:
C13H13Cl2NO3

M.W.:
302.16

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2289692

Name:
(S)-ethyl 2-(3-(4-chlorophenyl)acrylamido)-3-pheny
Show More⌵

Mol. Formula:
C20H20ClNO3

M.W.:
357.84

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2289691

Name:
(S)-methyl 2-(3-(4-chlorophenyl)acrylamido)-3-phen
Show More⌵

Mol. Formula:
C19H18ClNO3

M.W.:
343.81

8 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2289690

Name:
(2S,3S)-ethyl 2-(3-(4-chlorophenyl)acrylamido)-3-m
Show More⌵

Mol. Formula:
C17H22ClNO3

M.W.:
323.82