Compounds

ALA2283323

Name:
4-Amino-N'-[2-iodophenylmethylidene]butanehydrazid
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Mol. Formula:
C11H14IN3O

M.W.:
331.16

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
67.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2283322

Name:
4-Amino-N'-(10-oxo-9,10-dihydroanthracene-9-yliden
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Mol. Formula:
C18H17N3O2

M.W.:
307.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.84

Polar Surface Area:
84.55

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2283321

Name:
4-Amino-N'-[1,2,3,4-tetrahydronaphthalene-2-yliden
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Mol. Formula:
C14H19N3O

M.W.:
245.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.39

Polar Surface Area:
67.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2283232

Name:
4-Amino-N'-[3-iodophenylmethylidene]butanehydrazid
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Mol. Formula:
C11H14IN3O

M.W.:
331.16

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.48

Polar Surface Area:
67.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2283231

Name:
4-Amino-N'-[2-methyl-10-oxo-9,10-dihydroanthracene
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Mol. Formula:
C19H19N3O2

M.W.:
321.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.15

Polar Surface Area:
84.55

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2283230

Name:
4-Amino-N'-[1-(3-chlorophenyl)ethylidene]butanehyd
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Mol. Formula:
C12H16ClN3O

M.W.:
253.73

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
67.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2283229

Name:
4-Amino-N'-[1-(2-bromophenyl)ethylidene]butanehydr
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Mol. Formula:
C12H16BrN3O

M.W.:
298.18

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.03

Polar Surface Area:
67.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2283228

Name:
3-[(2,3,5,6-Tetramethyl-4-oxocyclohexa-2,5-dien-1-
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Mol. Formula:
C17H17NO3

M.W.:
283.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
66.73

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA2283227

Name:
3-[(10-Oxo-9,10-dihydroanthracene-9-ylidene)amino]
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Mol. Formula:
C21H13NO3

M.W.:
327.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
66.73

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2283226

Name:
3-[(10-Oxo-9,10-dihydrophenanthrene-9-ylidene)amin
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Mol. Formula:
C21H13NO3

M.W.:
327.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
66.73

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2283225

Name:
3-{[2-Ethyl-10-oxo-9,10-dihydroanthracene-9-yliden
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Mol. Formula:
C23H17NO3

M.W.:
355.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
66.73

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2283224

Name:
3-Amino-N'-[2-chloro-10-oxo-9,10-dihydroanthracene
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Mol. Formula:
C21H16ClN3O2

M.W.:
377.83

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
84.55

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2283223

Name:
3-Amino-N'-[4-chlorophenyl(phenyl)methylidene]benz
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Mol. Formula:
C20H16ClN3O

M.W.:
349.82

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
67.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2283222

Name:
3-Amino-N'-[1-(3-chlorophenyl)ethylidene]benzohydr
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Mol. Formula:
C15H14ClN3O

M.W.:
287.75

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
67.48

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2283221

Name:
3-Amino-N'-[1,2-dihydroxy-10-oxo-9,10-dihydroanthr
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Mol. Formula:
C21H15N3O4

M.W.:
373.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
125.01

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA2283220

Name:
4-{[1-(Naphthalen-2-yl)ethylidene]amino}butanoicac
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Mol. Formula:
C16H17NO2

M.W.:
255.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
49.66

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2283219

Name:
4-{[2-Methyl-4-oxocyclohexa-2,5-dien-1-ylidene]ami
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Mol. Formula:
C11H13NO3

M.W.:
207.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.38

Polar Surface Area:
66.73

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2283218

Name:
4-{[3,5,5-Trimethylcyclohex-2-en-1-ylidene]amino}b
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Mol. Formula:
C13H21NO2

M.W.:
223.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
49.66

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2283217

Name:
4-{[2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yli
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Mol. Formula:
C14H21NO2

M.W.:
235.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
49.66

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2283216

Name:
4-{[5-Methyl-2-(propan-2-yl)cyclohexylidene]amino}
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Mol. Formula:
C14H25NO2

M.W.:
239.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
49.66

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS