Compounds

Type:
Unknown

AlogP:
4.32

Polar Surface Area:
100.67

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4539573

Name:
6-(4-Methylpent-1-yl)naphthalene-2,3-dicarboxylic
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Mol. Formula:
C18H20O4

M.W.:
300.35

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
74.60

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4539413

Name:
(E)-3-Hydroxy-7-(3-methoxystyryl)-2-naphthoic acid

Mol. Formula:
C20H16O4

M.W.:
320.34

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4539174

Name:
(E)-2-oxo-6-styryl-2H-chromene-3-carboxylic acid

Mol. Formula:
C18H12O4

M.W.:
292.29

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
67.51

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4536872

Name:
6-(4-Methylpentanoyl)-2-naphthoic acid

Mol. Formula:
C17H18O3

M.W.:
270.33

Type:
Unknown

AlogP:
4.16

Polar Surface Area:
54.37

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4522936

Name:
(E)-3-hydroxy-7-(2-methoxystyryl)-2-naphthoic acid

Mol. Formula:
C20H16O4

M.W.:
320.34

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4521793

Name:
(E)-7-(3-carboxystyryl)-3-hydroxy-2-naphthoic acid

Mol. Formula:
C20H14O5

M.W.:
334.33

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
94.83

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4534780

Name:
(E)-3-Hydroxy-7-(4-nitrostyryl)-2-naphthoic acid

Mol. Formula:
C19H13NO5

M.W.:
335.32

13 activity values

Type:
Unknown

AlogP:
4.32

Polar Surface Area:
100.67

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4534683

Name:
6-(Isobutylcarbamoyl)-2-naphthoic acid

Mol. Formula:
C16H17NO3

M.W.:
271.32

Type:
Unknown

AlogP:
2.92

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4533436

Name:
(E)-6-(Pent-1-en-1-yl)-2-naphthoic acid

Mol. Formula:
C16H16O2

M.W.:
240.30

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4531020

Name:
(RS)-6-(5-Methylhexan-2-yl)-2-naphthoic acid

Mol. Formula:
C18H22O2

M.W.:
270.37

17 activity values

Type:
Unknown

AlogP:
5.08

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4530995

Name:
6-(3-Cyclopentylprop-1-yl)-2-naphthoic acid

Mol. Formula:
C19H22O2

M.W.:
282.38

17 activity values

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4561370

Name:
(RS)-6-(4-Carboxypent-1-yl)-2-naphthoic acid

Mol. Formula:
C17H18O4

M.W.:
286.33

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
74.60

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4559225

Name:
6-((Isobutyryloxy)methyl)-2-naphthoic acid

Mol. Formula:
C16H16O4

M.W.:
272.30

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4558965

Name:
(RS)-6-(2-Carboxy-4-methylpent-1-yl)-2-naphthoic a
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Mol. Formula:
C18H20O4

M.W.:
300.35

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
74.60

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4569520

Name:
6-Butoxy-2-naphthoic acid

Mol. Formula:
C15H16O3

M.W.:
244.29

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4568188

Name:
(E)-3-hydroxy-7-(4-methoxystyryl)-2-naphthoate

Mol. Formula:
C20H16O4

M.W.:
320.34

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4514951

Name:
(E)-7-(2-carboxystyryl)-3-hydroxy-2-naphthoic acid

Mol. Formula:
C20H14O5

M.W.:
334.33

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
94.83

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4548213

Name:
2-Hydroxymethyl-6-n-pent-1-yl-naphthalene

Mol. Formula:
C16H20O

M.W.:
228.33

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4546130

Name:
6-(Isobutoxycarbonyl)-2-naphthoic acid

Mol. Formula:
C16H16O4

M.W.:
272.30