Compounds

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA183636

Name:
4-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylmethyl)-phenol

Mol. Formula:
C18H20O2

M.W.:
268.36

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA185724

Name:
2-Biphenyl-4-ylmethyl-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one

Mol. Formula:
C23H20O2

M.W.:
328.41

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA361073

Name:
2-Biphenyl-2-ylmethyl-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one

Mol. Formula:
C23H20O2

M.W.:
328.41

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA426432

Name:
2-[1-(4-Hydroxy-phenyl)-meth-(E)-ylidene]-6-methoxy-3,4-dihydro-2H-naphthalShow More⌵

Mol. Formula:
C18H16O3

M.W.:
280.32

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA363682

Name:
2-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-6-methoxy-3,4-dihydro-2H-naphthalenShow More⌵

Mol. Formula:
C18H15BrO2

M.W.:
343.22

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA360640

Name:
2-[1-Biphenyl-2-yl-meth-(E)-ylidene]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-Show More⌵

Mol. Formula:
C23H18O2

M.W.:
326.40

5 activity values

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA365686

Name:
2-[1-(4-Dimethylamino-phenyl)-meth-(E)-ylidene]-6-hydroxy-3,4-dihydro-2H-naShow More⌵

Mol. Formula:
C19H19NO2

M.W.:
293.37

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA185720

Name:
2-(2,5-Bis-trifluoromethyl-benzyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-onShow More⌵

Mol. Formula:
C20H16F6O2

M.W.:
402.33

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA365510

Name:
2-[1-(2,5-Bis-trifluoromethyl-phenyl)-meth-(E)-ylidene]-6-methoxy-3,4-dihydShow More⌵

Mol. Formula:
C20H14F6O2

M.W.:
400.32

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA186798

Name:
2-[1-Biphenyl-4-yl-meth-(E)-ylidene]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-Show More⌵

Mol. Formula:
C23H18O2

M.W.:
326.39

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA185737

Name:
2-[1-(3-Dimethylamino-phenyl)-meth-(E)-ylidene]-6-methoxy-3,4-dihydro-2H-naShow More⌵

Mol. Formula:
C20H21NO2

M.W.:
307.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA185684

Name:
2-(4-Hydroxy-benzyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

Mol. Formula:
C18H18O3

M.W.:
282.34

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA363039

Name:
6-Methoxy-2-(2-methyl-benzyl)-3,4-dihydro-2H-naphthalen-1-one

Mol. Formula:
C19H20O2

M.W.:
280.37

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA188017

Name:
6-Methoxy-2-[1-o-tolyl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one

Mol. Formula:
C19H18O2

M.W.:
278.35

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA187150

Name:
6-Hydroxy-2-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalShow More⌵

Mol. Formula:
C17H14O3

M.W.:
266.30

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA186016

Name:
6-Hydroxy-2-(4-hydroxy-benzyl)-3,4-dihydro-2H-naphthalen-1-one

Mol. Formula:
C17H16O3

M.W.:
268.31