Compounds

ALA2287439

Name:
(1S,2S,5S)-1-((1H-1,2,4-triazol-1-yl)methyl)-2-(4-chlorobenzyl)-5-propylcycShow More⌵

Mol. Formula:
C18H24ClN3O

M.W.:
333.86

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA2287438

Name:
(1R,2R,5S)-1-((1H-1,2,4-triazol-1-yl)methyl)-2-(4-chlorobenzyl)-5-ethylcyclShow More⌵

Mol. Formula:
C17H22ClN3O

M.W.:
319.84

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA2287437

Name:
(1S,2S,5R)-1-((1H-1,2,4-triazol-1-yl)methyl)-2-(4-chlorobenzyl)-5-ethylcyclShow More⌵

Mol. Formula:
C17H22ClN3O

M.W.:
319.84

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA2287436

Name:
(1R,2R,5R)-1-((1H-1,2,4-triazol-1-yl)methyl)-2-(4-chlorobenzyl)-5-ethylcyclShow More⌵

Mol. Formula:
C17H22ClN3O

M.W.:
319.84

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA2287435

Name:
(1S,2S,5S)-1-((1H-1,2,4-triazol-1-yl)methyl)-2-(4-chlorobenzyl)-5-ethylcyclShow More⌵

Mol. Formula:
C17H22ClN3O

M.W.:
319.84

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA2287434

Name:
(1R,2R,5R)-1-((1H-1,2,4-triazol-1-yl)methyl)-2-(4-chlorobenzyl)-5-methylcycShow More⌵

Mol. Formula:
C16H20ClN3O

M.W.:
305.81

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA2287433

Name:
(1S,2S,5S)-1-((1H-1,2,4-triazol-1-yl)methyl)-2-(4-chlorobenzyl)-5-methylcycShow More⌵

Mol. Formula:
C16H20ClN3O

M.W.:
305.81

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA2287432

Name:
(1S,2S)-1-((1H-1,2,4-triazol-1-yl)methyl)-2-(4-chlorobenzyl)cyclopentanol

Mol. Formula:
C15H18ClN3O

M.W.:
291.78

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
50.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA2287064

Name:
N-(3,5-Dichloro-4-propynyloxyphenyl)-N'-methoxyformamidine

Mol. Formula:
C11H10Cl2N2O2

M.W.:
273.12

91 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
42.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS