Compounds

ALA5272622

Name:
4-((4-(6-(benzyloxy)-1H-indole-3-carbonyl)piperazin-1-yl)methyl)-N-hydroxybShow More⌵

Mol. Formula:
C28H28N4O4

M.W.:
484.56

Type:
---

AlogP:
3.82

Polar Surface Area:
97.90

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5272302

Name:
4-Bromo-N'-(cyclopentylmethyl)benzohydrazide

Mol. Formula:
C13H17BrN2O

M.W.:
297.20

Type:
---

AlogP:
2.87

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5271954

Name:
7-(Bis((1H-indol-2-yl)methyl)amino)-N-hydroxyheptanamide

Mol. Formula:
C25H30N4O2

M.W.:
418.54

Type:
---

AlogP:
5.11

Polar Surface Area:
84.15

HBA:
3

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5271952

Name:
Rac-N-(7-(5-(3-fluorophenyl)-3-methylisoxazol-4-yl)hept-6-yn-1-yl)-2-mercapShow More⌵

Mol. Formula:
C20H23FN2O2S

M.W.:
374.48

Type:
---

AlogP:
4.14

Polar Surface Area:
55.13

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5271748

Name:
N'-Butyl-4-(trifluoromethoxy)benzohydrazide

Mol. Formula:
C12H15F3N2O2

M.W.:
276.26

Type:
---

AlogP:
2.62

Polar Surface Area:
50.36

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5271319

Name:
3-(3-((7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-yl)amino)phenyl)-N-hydroShow More⌵

Mol. Formula:
C19H16N4O4

M.W.:
364.36

Type:
---

AlogP:
2.66

Polar Surface Area:
105.60

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5271192

Name:
6-(((5-(dimethylamino)naphthalen-1-yl)thio)amino)-N-hydroxyhexanamide

Mol. Formula:
C18H25N3O2S

M.W.:
347.48

Type:
---

AlogP:
3.57

Polar Surface Area:
64.60

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5271068

Name:
2-mercapto-2-methyl-N-(6-(3-methyl-5-phenylisoxazol-4-yl)hex-5-yn-1-yl)propShow More⌵

Mol. Formula:
C20H24N2O2S

M.W.:
356.49

Type:
---

AlogP:
4.00

Polar Surface Area:
55.13

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5270958

Name:
(S)-4-((3-((1H-indol-3-yl)methyl)-2,5-dioxopiperazin-1-yl)methyl)-N-hydroxyShow More⌵

Mol. Formula:
C21H20N4O4

M.W.:
392.42

Type:
---

AlogP:
1.36

Polar Surface Area:
114.53

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5270751

Name:
(S)-N-(5-(2-mercaptopropanamido)pentyl)-5-methyl-3-phenylisoxazole-4-carboxShow More⌵

Mol. Formula:
C19H25N3O3S

M.W.:
375.49

Type:
---

AlogP:
2.98

Polar Surface Area:
84.23

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5270464

Name:
N-hydroxy-6-(4,5,6,7-tetrabromo-2-(dimethylamino)-3a,7a-dihydro-1H-benzo[d]Show More⌵

Mol. Formula:
C15H20Br4N4O2

M.W.:
607.97

Type:
---

AlogP:
4.04

Polar Surface Area:
68.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5270399

Name:
4-(5-(4-(3-bromo-4,5-dimethoxyphenyl)oxazol-5-yl)-2-methoxyphenoxy)-N-hydroShow More⌵

Mol. Formula:
C22H23BrN2O7

M.W.:
507.34

Type:
---

AlogP:
4.46

Polar Surface Area:
112.28

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5270345

Name:
N-hydroxy-3-(3-(2-((8-isobutyl-2-oxochroman-7-yl)oxy)ethoxy)phenyl)acrylamiShow More⌵

Mol. Formula:
C24H27NO6

M.W.:
425.48

Type:
---

AlogP:
3.71

Polar Surface Area:
94.09

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5270048

Name:
2,4-diphenyl-2,5-dihydrofuran-2-ol

Mol. Formula:
C16H14O2

M.W.:
238.29

Type:
---

AlogP:
2.95

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.87

DETAILS

ALA5269954

Name:
(+/-)-4-((2-(2-Fluorophenyl)-1'-methylspiro[indoline-3,4'-piperidin]-1-yl)mShow More⌵

Mol. Formula:
C27H28FN3O2

M.W.:
445.54

Type:
---

AlogP:
4.67

Polar Surface Area:
55.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5269722

Name:
N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide

Mol. Formula:
C15H23N3O

M.W.:
261.37

Type:
---

AlogP:
2.18

Polar Surface Area:
44.37

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5269475

Name:
4-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)sulfonyl)-N-hydroxybenzamide

Mol. Formula:
C18H18N4O4S2

M.W.:
418.50

Type:
---

AlogP:
1.93

Polar Surface Area:
102.84

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5269123

Name:
N-hydroxy-9-(2-(4-methoxybenzylidene)hydrazineyl)-9-oxononanamide

Mol. Formula:
C17H25N3O4

M.W.:
335.40

Type:
---

AlogP:
2.38

Polar Surface Area:
100.02

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5268943

Name:
7-((4-Fluorobenzyl)amino)-N-hydroxyheptanamide

Mol. Formula:
C14H21FN2O2

M.W.:
268.33

Type:
---

AlogP:
2.37

Polar Surface Area:
61.36

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5268869

Name:
N1-hydroxy-N4-(2-methoxybenzyl)terephthalamide

Mol. Formula:
C16H16N2O4

M.W.:
300.31

Type:
---

AlogP:
1.74

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS