Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4527880

Name:
4-((E)-3-(Hydroxyamino)-3-oxoprop-1-en-1-yl)-N-(2-
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Mol. Formula:
C27H38BN3O6

M.W.:
511.43

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4527403

Name:
N-((S)-3-(1H-Indol-2-yl)-1-(((R)-3-methyl-1-((3aR,
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Mol. Formula:
C36H45BN4O6

M.W.:
640.59

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4547369

Name:
N1-((S)-3-(1H-Indol-3-yl)-1-(((R)-3-methyl-1-((3aR
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Mol. Formula:
C34H43BN4O6

M.W.:
614.55

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4576202

Name:
3-((E)-3-(Hydroxyamino)-3-oxoprop-1-en-1-yl)-N-(2-
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Mol. Formula:
C27H38BN3O6

M.W.:
511.43

38 activity values

17 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4581044

Name:
2-hydroxy-N-(4-(4-(3-(hydroxyamino)-3-oxoprop-1-en
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Mol. Formula:
C22H26N2O6

M.W.:
414.46

Type:
Unknown

AlogP:
2.85

Polar Surface Area:
108.33

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4463372

Name:
N-((S)-3-(1H-Indol-2-yl)-1-(((R)-3-methyl-1-((3aR,
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Mol. Formula:
C36H45BN4O6

M.W.:
640.59

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4462775

Name:
N1-((S)-3-(1H-Indol-3-yl)-1-(((R)-3-methyl-1-((3aR
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Mol. Formula:
C34H43BN4O6

M.W.:
614.55

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4460851

Name:
N1-(2-Aminophenyl)-N3-(2-(((R)-3-methyl-1-((3aR,4R
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Mol. Formula:
C31H41BN4O5

M.W.:
560.50

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4468821

Name:
2-hydroxy-N-(3-(4-(3-(hydroxyamino)-3-oxoprop-1-en
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Mol. Formula:
C20H22N2O6

M.W.:
386.40

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
117.12

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4467212

Name:
2-hydroxy-N-(3-(4-(3-(hydroxyamino)-3-oxoprop-1-en
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Mol. Formula:
C21H24N2O6

M.W.:
400.43

Type:
Unknown

AlogP:
2.46

Polar Surface Area:
108.33

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4465947

Name:
2-hydroxy-N-(2-(4-(3-(hydroxyamino)-3-oxoprop-1-en
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Mol. Formula:
C20H22N2O6

M.W.:
386.40

Type:
Unknown

AlogP:
2.07

Polar Surface Area:
108.33

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4099070

Name:
(E)-3-(3-((((6-bromoquinolin-2-yl)methyl)amino)met
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Mol. Formula:
C20H18BrN3O2

M.W.:
412.29

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
74.25

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4103018

Name:
4-((((6-Bromoquinolin-2-yl)methyl)amino)methyl)-N-
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Mol. Formula:
C18H16BrN3O2

M.W.:
386.25

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
74.25

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4100551

Name:
(E)-N-hydroxy-3-(4-(2-oxo-2-(phenyl(quinolin-2-ylm
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Mol. Formula:
C27H23N3O3

M.W.:
437.50

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
82.53

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4092820

Name:
N-hydroxy-4-((((6-methoxyquinolin-2-yl)methyl)amin
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Mol. Formula:
C19H19N3O3

M.W.:
337.38

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
83.48

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4091336

Name:
(E)-3-(3-((((6-bromoquinolin-2-yl)methyl)(hexyl)am
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Mol. Formula:
C26H30BrN3O2

M.W.:
496.45

Type:
Small molecule

AlogP:
6.10

Polar Surface Area:
65.46

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4087984

Name:
(E)-4-(3-(hydroxyamino)-3-oxoprop-1-en-1-yl)-N-((8
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Mol. Formula:
C27H23N3O4

M.W.:
453.50

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
91.76

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4086866

Name:
(E)-3-(4-((benzyl(quinolin-2-ylmethyl)amino)methyl
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Mol. Formula:
C27H25N3O2

M.W.:
423.52

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
65.46

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4085067

Name:
4-((((8-Chloroquinolin-2-yl)methyl)amino)methyl)-N
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Mol. Formula:
C18H16ClN3O2

M.W.:
341.80