Compounds

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
66.40

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4524841

Name:
2-(Benzo[d][1,3]dioxol-5-ylamino)-3-hydroxynaphtha
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Mol. Formula:
C17H11NO5

M.W.:
309.28

Type:
Unknown

AlogP:
2.68

Polar Surface Area:
84.86

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4560384

Name:
2-((4-Chlorophenyl)amino)-3-hydroxynaphthalene-1,4
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Mol. Formula:
C16H10ClNO3

M.W.:
299.71

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
66.40

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4566973

Name:
2-((4-Fluorophenyl)amino)-3-hydroxynaphthalene-1,4
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Mol. Formula:
C16H10FNO3

M.W.:
283.26

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
66.40

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4527976

Name:
2-Hydroxy-3-(4-(4-nitrophenyl)piperazin-1-yl)napht
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Mol. Formula:
C20H17N3O5

M.W.:
379.37

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
103.99

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4546952

Name:
2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)-3-h
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Mol. Formula:
C18H13NO5

M.W.:
323.30

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
84.86

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4590771

Name:
2-((1,4-Dioxo-1,4-dihydronaphthalen-2-yl)oxy)aceto
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Mol. Formula:
C12H7NO3

M.W.:
213.19

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.49

Polar Surface Area:
67.16

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4586212

Name:
2-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-3-hydroxy
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Mol. Formula:
C20H16Cl2N2O3

M.W.:
403.27

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
60.85

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4464250

Name:
2-Chloro-3-(methylamino)naphthalene-1,4-dione

Cas Number:
15252-69-4

Mol. Formula:
C11H8ClNO2

M.W.:
221.64

Type:
Unknown

AlogP:
1.74

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA4472078

Name:
2-Hydroxy-3-((3-(trifluoromethyl)phenyl)amino)naph
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Mol. Formula:
C17H10F3NO3

M.W.:
333.26

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
66.40

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4474026

Name:
2-(4-(4-Chlorophenyl)piperazin-1-yl)-3-hydroxynaph
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Mol. Formula:
C20H17ClN2O3

M.W.:
368.82

Type:
Unknown

AlogP:
3.31

Polar Surface Area:
60.85

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4519506

Name:
2-Chloro-3-((2-chlorophenyl)amino)naphthalene-1,4-
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Mol. Formula:
C16H9Cl2NO2

M.W.:
318.16

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.28

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4452960

Name:
2-((2-Chlorophenyl)amino)-3-hydroxynaphthalene-1,4
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Mol. Formula:
C16H10ClNO3

M.W.:
299.71

6 activity values

Type:
Unknown

AlogP:
3.60

Polar Surface Area:
66.40

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4436314

Name:
2-(3-(3-Methylbut-2-enyl)-1,4-dioxo-1,4-dihydronap
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Mol. Formula:
C17H15NO3

M.W.:
281.31