Compounds

Type:
Unknown

AlogP:
5.41

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4105510

Name:
(E)-N-(2-(1H-Imidazol-1-yl)-2-(4-methoxyphenyl)ethyl)-4-styrylbenzamide

Mol. Formula:
C27H25N3O2

M.W.:
423.52

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4104362

Name:
(E)-N-(2-(1H-imidazol-1-yl)-2-phenylethyl)-3-styrylbenzamide

Mol. Formula:
C26H23N3O

M.W.:
393.49

Type:
Small molecule

AlogP:
5.07

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4103700

Name:
(E)-N-(2-(1H-Imidazol-1-yl)-2-(4-(trifluoromethyl)phenyl)ethyl)-4-styrylbenShow More⌵

Mol. Formula:
C27H22F3N3O

M.W.:
461.49

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4087998

Name:
(E)-N-(2-(4-Chlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-3-styrylbenzamide

Mol. Formula:
C26H22ClN3O

M.W.:
427.94

Type:
Small molecule

AlogP:
5.73

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4087325

Name:
(E)-N-(2-(4-Chlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-styrylbenzamide

Mol. Formula:
C26H22ClN3O

M.W.:
427.94

Type:
Small molecule

AlogP:
5.73

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4080128

Name:
(E)-N-(2-(4-Chlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(3,4-dimethoxystyrylShow More⌵

Mol. Formula:
C28H26ClN3O3

M.W.:
487.99

Type:
Small molecule

AlogP:
5.74

Polar Surface Area:
65.38

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4079445

Name:
(E)-N-(2-(1H-Imidazol-1-yl)-2-(2-(trifluoromethyl)phenyl)ethyl)-4-styrylbenShow More⌵

Mol. Formula:
C27H22F3N3O

M.W.:
461.49

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4076840

Name:
(E)-N-(2-(3,4-Dimethylphenyl)-2-(1H-imidazol-1-yl)ethyl)-4-styrylbenzamide

Mol. Formula:
C28H27N3O

M.W.:
421.54

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4066700

Name:
(E)-N-(2-(1H-imidazol-1-yl)-2-(4-(trifluoromethyl)phenyl)ethyl)-3-styrylbenShow More⌵

Mol. Formula:
C27H22F3N3O

M.W.:
461.49

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4060725

Name:
(E)-N-(2-(1H-imidazol-1-yl)-2-phenylethyl)-3-(2-(trifluoromethyl)styryl)benShow More⌵

Mol. Formula:
C27H22F3N3O

M.W.:
461.49

Type:
Small molecule

AlogP:
6.09

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3360785

Name:
(1R,3R)-5-((E)-2-((1R,3aS,7aR)-1-((R)-5-(cyclopropylamino)pentan-2-yl)-7a-mShow More⌵

Mol. Formula:
C27H43NO2

M.W.:
413.65

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
52.49

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3360784

Name:
(1R,3R)-5-((E)-2-((1R,3aS,7aR)-1-((S)-1-(1H-imidazol-1-yl)propan-2-yl)-7a-mShow More⌵

Mol. Formula:
C25H36N2O2

M.W.:
396.58

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
58.28

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3360783

Name:
(R)-4-((1R,3aS,7aR,E)-4-((Z)-2-((S)-5-hydroxy-2-methylenecyclohexylidene)etShow More⌵

Mol. Formula:
C31H44O4S

M.W.:
512.76

Type:
Small molecule

AlogP:
7.29

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3344404

Name:
Toluene-4-sulfonic acid 3-{4-[2-(3,5-dimethoxy-phenyl)-vinyl]-indol-1-yl}-pShow More⌵

Mol. Formula:
C28H29NO5S

M.W.:
491.61

Type:
Small molecule

AlogP:
5.93

Polar Surface Area:
66.76

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3344403

Name:
Toluene-4-sulfonic acid 3-(4-styryl-indol-1-yl)-propyl ester

Mol. Formula:
C26H25NO3S

M.W.:
431.56

Type:
Small molecule

AlogP:
5.92

Polar Surface Area:
48.30

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3344402

Name:
(E)-3-(4-styryl-1H-indol-1-yl)propyl benzenesulfinate

Mol. Formula:
C25H23NO2S

M.W.:
401.53

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
31.23

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3344401

Name:
N-(4-{4-[2-(3,5-dimethoxy-phenyl)-vinyl]-indol-1yl}-butyl)-4-methyl-benzeneShow More⌵

Mol. Formula:
C29H32N2O4S

M.W.:
504.65

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
69.56

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3344400

Name:
4-Methyl-N-[4-(4-styryl-indol-1-yl)butyl]benzenesulfonamide

Mol. Formula:
C27H28N2O2S

M.W.:
444.60

Type:
Small molecule

AlogP:
5.88

Polar Surface Area:
51.10

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3344399

Name:
N-(3-{4-[2-(3,5-dimethoxy-phenyl)-vinyl]-indol-1yl}-propyl)-4-methyl-benzenShow More⌵

Mol. Formula:
C28H30N2O4S

M.W.:
490.63