Compounds

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
100.01

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3585804

Name:
(S)-2-(2-Butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-3-(4-hydroxyphShow More⌵

Mol. Formula:
C18H22ClN3O4

M.W.:
379.84

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
104.45

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3585803

Name:
(S)-2-(2-Butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-3-phenylpropanShow More⌵

Mol. Formula:
C18H22ClN3O3

M.W.:
363.85

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
84.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3585802

Name:
(S)-2-(2-Butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-4-(methylthio)Show More⌵

Mol. Formula:
C14H22ClN3O3S

M.W.:
347.87

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
84.22

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3585801

Name:
(2S,3S)-2-(2-Butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-3-hydroxybShow More⌵

Mol. Formula:
C13H20ClN3O4

M.W.:
317.77

Type:
Small molecule

AlogP:
0.98

Polar Surface Area:
104.45

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3585800

Name:
(S)-2-(2-Butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-3-hydroxypropaShow More⌵

Mol. Formula:
C12H18ClN3O4

M.W.:
303.75

Type:
Small molecule

AlogP:
0.59

Polar Surface Area:
104.45

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3585799

Name:
(2S,3R)-2-(2-Butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-3-methylpeShow More⌵

Mol. Formula:
C15H24ClN3O3

M.W.:
329.83

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
84.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3585798

Name:
(S)-2-(2-Butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-4-methylpentanShow More⌵

Mol. Formula:
C15H24ClN3O3

M.W.:
329.83

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
84.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3585797

Name:
(S)-2-(2-Butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-3-methylbutanoShow More⌵

Mol. Formula:
C14H22ClN3O3

M.W.:
315.80

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
84.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3585796

Name:
(S)-2-(2-Butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)propanoic acid

Mol. Formula:
C12H18ClN3O3

M.W.:
287.75

Type:
Small molecule

AlogP:
1.62

Polar Surface Area:
84.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3585795

Name:
2-(2-Butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)acetic acid

Mol. Formula:
C11H16ClN3O3

M.W.:
273.72

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
84.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3585794

Name:
(S)-Methyl 2-(2-butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-3-(1H-iShow More⌵

Mol. Formula:
C21H25ClN4O3

M.W.:
416.91

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
89.01

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3585793

Name:
(S)-Methyl 2-(2-butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-3-(4-hyShow More⌵

Mol. Formula:
C19H24ClN3O4

M.W.:
393.87

Type:
Small molecule

AlogP:
2.64

Polar Surface Area:
93.45

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3585792

Name:
(S)-Methyl 2-(2-butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-3-phenyShow More⌵

Mol. Formula:
C19H24ClN3O3

M.W.:
377.87

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
73.22

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3585791

Name:
(S)-Methyl 2-(2-butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-4-(methShow More⌵

Mol. Formula:
C15H24ClN3O3S

M.W.:
361.90

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
73.22

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3585790

Name:
(2S,3S)-Methyl2-(2-butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-3-hyShow More⌵

Mol. Formula:
C14H22ClN3O4

M.W.:
331.80

Type:
Small molecule

AlogP:
1.07

Polar Surface Area:
93.45

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3585789

Name:
(S)-Methyl 2-(2-butyl-4-chloro-1-methyl-1H-imidazole-5-carboxamido)-3-hydroShow More⌵

Mol. Formula:
C13H20ClN3O4

M.W.:
317.77