Compounds

ALA5267379

Name:
4-((1H-1,2,4-Triazol-1-yl)methyl)-N-hydroxybenzamide

Mol. Formula:
C10H10N4O2

M.W.:
218.22

Type:
---

AlogP:
0.45

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5266236

Name:
N-Hydroxy-4-((3-phenyl-1H-1,2,4-triazol-1-yl)methyl)benzamide

Mol. Formula:
C16H14N4O2

M.W.:
294.31

Type:
---

AlogP:
2.11

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5220745

Name:
N-hydroxy-6-(4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzo[d]imidazol-1-yl)Show More⌵

Mol. Formula:
C15H18Br4N4O2

M.W.:
605.95

3 activity values

3 unique targets

Type:
---

AlogP:
5.22

Polar Surface Area:
70.39

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5281671

Name:
N-Hydroxy-3-((5-phenyl-1H-1,2,4-triazol-1-yl)methyl)benzamide

Mol. Formula:
C16H14N4O2

M.W.:
294.31

Type:
---

AlogP:
2.11

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5281142

Name:
3-Fluoro-N-hydroxy-4-((3-phenyl-1H-1,2,4-triazol-1-yl)methyl)benzamide

Mol. Formula:
C16H13FN4O2

M.W.:
312.30

Type:
---

AlogP:
2.25

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5280669

Name:
4-((3-(2,6-Difluorophenyl)-1H-1,2,4-triazol-1-yl)methyl)-N-hydroxybenzamide

Mol. Formula:
C16H12F2N4O2

M.W.:
330.29

Type:
---

AlogP:
2.39

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5279952

Name:
4-((3-([1,1'-Biphenyl]-3-yl)-1H-1,2,4-triazol-1-yl)methyl)-N-hydroxybenzamiShow More⌵

Mol. Formula:
C22H18N4O2

M.W.:
370.41

Type:
---

AlogP:
3.78

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5278837

Name:
N-Hydroxy-3-((3-phenyl-1H-1,2,4-triazol-1-yl)methyl)benzamide

Mol. Formula:
C16H14N4O2

M.W.:
294.31

Type:
---

AlogP:
2.11

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5274634

Name:
3-Fluoro-4-((3-(2-fluorophenyl)-1H-1,2,4-triazol-1-yl)methyl)-N-hydroxybenzShow More⌵

Mol. Formula:
C16H12F2N4O2

M.W.:
330.29

Type:
---

AlogP:
2.39

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5274632

Name:
N-Hydroxy-4-((3-(m-tolyl)-1H-1,2,4-triazol-1-yl)methyl)benzamide

Mol. Formula:
C17H16N4O2

M.W.:
308.34

Type:
---

AlogP:
2.42

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5274088

Name:
N-Hydroxy-4-((3-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)methyl)beShow More⌵

Mol. Formula:
C17H13F3N4O2

M.W.:
362.31

Type:
---

AlogP:
3.13

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5273396

Name:
4-((3-(4-Fluorophenyl)-1H-1,2,4-triazol-1-yl)methyl)-N-hydroxybenzamide

Mol. Formula:
C16H13FN4O2

M.W.:
312.30

Type:
---

AlogP:
2.25

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5272879

Name:
3-((1H-1,2,4-Triazol-1-yl)methyl)-N-hydroxybenzamide

Mol. Formula:
C10H10N4O2

M.W.:
218.22

Type:
---

AlogP:
0.45

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5291256

Name:
N-Hydroxy-4-((3-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl)methyl)benzamide

Mol. Formula:
C14H12N4O2S

M.W.:
300.34

Type:
---

AlogP:
2.17

Polar Surface Area:
80.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5291113

Name:
AMG-487-(+/-)

Mol. Formula:
C32H28F3N5O4

M.W.:
603.60

Type:
---

AlogP:
5.81

Polar Surface Area:
99.44

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5290601

Name:
N-Hydroxy-6-((3-phenyl-1H-1,2,4-triazol-1-yl)methyl)nicotinamide

Mol. Formula:
C15H13N5O2

M.W.:
295.30

Type:
---

AlogP:
1.51

Polar Surface Area:
92.93

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5289013

Name:
Rac-4-((4-allyl-3-benzyl-2,5-dioxopiperazin-1-yl)methyl)-N-hydroxybenzamide

Mol. Formula:
C21H21N3O4

M.W.:
379.42

Type:
---

AlogP:
1.73

Polar Surface Area:
89.95

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5287254

Name:
4-((3-Bromo-1H-1,2,4-triazol-1-yl)methyl)-N-hydroxybenzamide

Mol. Formula:
C10H9BrN4O2

M.W.:
297.11

Type:
---

AlogP:
1.21

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5287109

Name:
N-Hydroxy-4-((5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl)methyl)benzamide

Mol. Formula:
C14H12N4O2S

M.W.:
300.34

Type:
---

AlogP:
2.17

Polar Surface Area:
80.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5286013

Name:
N-Hydroxy-4-((3-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl)methyl)benzamide

Mol. Formula:
C17H16N4O3

M.W.:
324.34

Type:
---

AlogP:
2.12

Polar Surface Area:
89.27

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS