Compounds

Type:
---

AlogP:
3.71

Polar Surface Area:
55.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5198614

Name:
2-((4-Benzhydrylpiperazin-1-yl)methyl)-N-hydroxybe
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Mol. Formula:
C25H27N3O2

M.W.:
401.51

3 activity values

3 unique targets

Type:
---

AlogP:
3.71

Polar Surface Area:
55.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5195750

Name:
N-Hydroxy-4-((4-(1-phenylethyl)piperazin-1-yl)meth
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Mol. Formula:
C20H25N3O2

M.W.:
339.44

14 activity values

8 unique targets

Type:
---

AlogP:
2.68

Polar Surface Area:
55.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5193136

Name:
4-(3-(4-Benzhydrylpiperazin-1-yl)propyl)-N-hydroxy
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Mol. Formula:
C27H31N3O2

M.W.:
429.56

5 activity values

Type:
---

AlogP:
4.15

Polar Surface Area:
55.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5192796

Name:
4-((4-Benzylpiperazin-1-yl)methyl)-N-hydroxybenzam
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Mol. Formula:
C19H23N3O2

M.W.:
325.41

8 unique targets

Type:
---

AlogP:
2.12

Polar Surface Area:
55.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5189146

Name:
4-((4-Benzhydrylpiperazin-1-yl)methyl)-N-hydroxybe
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Mol. Formula:
C25H27N3O2

M.W.:
401.51

8 unique targets

Type:
---

AlogP:
3.71

Polar Surface Area:
55.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5175813

Name:
4-(4-(4-Benzhydrylpiperazin-1-yl)butyl)-N-hydroxyb
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Mol. Formula:
C28H33N3O2

M.W.:
443.59

5 activity values

Type:
---

AlogP:
4.54

Polar Surface Area:
55.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5172611

Name:
4-(2-(4-Benzhydrylpiperazin-1-yl)ethyl)-N-hydroxyb
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Mol. Formula:
C26H29N3O2

M.W.:
415.54

5 activity values

Type:
---

AlogP:
3.76

Polar Surface Area:
55.81

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4866436

Name:
4-((7-(1H-Pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-benz
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Mol. Formula:
C21H22N4O2

M.W.:
362.43

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
81.25

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4865650

Name:
4-((7-Chloro-6-fluoro-3,4-dihydroquinolin-1(2H)-yl
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Mol. Formula:
C17H16ClFN2O2

M.W.:
334.78

6 activity values

5 unique targets

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4863515

Name:
4-((6-(1H-Pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-
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Mol. Formula:
C20H20N4O2

M.W.:
348.41

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
81.25

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4859648

Name:
4-((6-Chloro-2-oxo-3,4-dihydroquinolin-1(2H)-yl)me
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Mol. Formula:
C17H15ClN2O3

M.W.:
330.77

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
69.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4856920

Name:
4-((7-Cyano-2,3,4,5-tetrahydro-1H-benz[b]azepin-1-
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Mol. Formula:
C19H19N3O2

M.W.:
321.38

Type:
Unknown

AlogP:
3.02

Polar Surface Area:
76.36

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4852645

Name:
4-((6,7-Dichloro-3,4-dihydroquinolin-1(2H)-yl)meth
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Mol. Formula:
C17H16Cl2N2O2

M.W.:
351.23

6 activity values

5 unique targets

Type:
Unknown

AlogP:
4.07

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4852043

Name:
4-((6-Fluoro-3,4-dihydroquinolin-1(2H)-yl)methyl)-
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Mol. Formula:
C17H15FN2O3

M.W.:
314.32

10 activity values

Type:
Unknown

AlogP:
2.54

Polar Surface Area:
69.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4849440

Name:
4-((6-Chloro-3,4-dihydroquinolin-1(2H)-yl)methyl)-
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Mol. Formula:
C17H16ClFN2O2

M.W.:
334.78

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
52.57

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4847663

Name:
1-(4-(Hydroxycarbamoyl)benzyl)-2,3,4,5-tetrahydro-
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Mol. Formula:
C19H21N3O3

M.W.:
339.40

Type:
Unknown

AlogP:
2.25

Polar Surface Area:
95.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4846714

Name:
4-((7-Chloro-2-oxo-2,3,4,5-tetrahydro-1H-benz[b]az
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Mol. Formula:
C18H17ClN2O3

M.W.:
344.80

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
69.64

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4846435

Name:
1-(4-(Hydroxycarbamoyl)benzyl)-1,2,3,4-tetrahydroq
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Mol. Formula:
C18H19N3O3

M.W.:
325.37

74 activity values

21 unique targets

Type:
Unknown

AlogP:
1.86

Polar Surface Area:
95.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4846263

Name:
4-((6-Chloro-7-fluoro-3,4-dihydroquinolin-1(2H)-yl
Show More⌵

Mol. Formula:
C17H16ClFN2O2

M.W.:
334.78