Compounds

ALA5286158

Name:
8alpha-acetoxyelemol

Mol. Formula:
C17H28O3

M.W.:
280.41

Type:
---

AlogP:
3.48

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5285354

Name:
7-Hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-N-m
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Mol. Formula:
C17H21NO5

M.W.:
319.36

Type:
---

AlogP:
2.03

Polar Surface Area:
77.76

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA5284439

Name:
7-(7'-Peroxy-3',7'-dimethylocta-2',5'-dienyloxy)-6
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Mol. Formula:
C21H26O7

M.W.:
390.43

Type:
---

AlogP:
4.35

Polar Surface Area:
87.36

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5283771

Name:
5-hydroxy-1-methyl-2-phenyl-4-quinolone

Mol. Formula:
C16H13NO2

M.W.:
251.28

Type:
---

AlogP:
2.91

Polar Surface Area:
42.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA5280801

Name:
(1S,2S,4S,5S)-2-(2-hydroxypropan-2-yl)-5-methyl-4-
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Mol. Formula:
C15H26O2

M.W.:
238.37

Type:
---

AlogP:
2.91

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA5278952

Name:
4,8-Dimethoxy-3-(3'-methyl-2'-oxobutyl)-2-quinolon
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Mol. Formula:
C16H19NO4

M.W.:
289.33

Type:
---

AlogP:
2.31

Polar Surface Area:
68.39

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5291254

Name:
Oplopanone

Mol. Formula:
C15H26O2

M.W.:
238.37

Type:
---

AlogP:
3.03

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5290928

Name:
3-(3',3'-dimethylallyl)-4,8-dimethoxy-N-methylquin
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Mol. Formula:
C17H21NO3

M.W.:
287.36

Type:
---

AlogP:
3.06

Polar Surface Area:
40.46

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5290113

Name:
6,8-Dimethoxy-7-(6'-peroxy-3',7'-dimethyl-2'E,7'-o
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Mol. Formula:
C21H26O7

M.W.:
390.43

Type:
---

AlogP:
4.35

Polar Surface Area:
87.36

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5289185

Name:
5-Hydroxy-6-methoxy-1-methyl-2-(4-methoxyphenyl)-4
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Mol. Formula:
C18H17NO4

M.W.:
311.34

Type:
---

AlogP:
2.93

Polar Surface Area:
60.69

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5282703

Name:
7-(6'R-hydroxy-3',7'-dimethyl-2'E,7'-octadienyloxy
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Mol. Formula:
C19H22O6

M.W.:
346.38

Type:
---

AlogP:
3.25

Polar Surface Area:
100.13

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5273934

Name:
Orijanone

Mol. Formula:
C16H19NO3

M.W.:
273.33

Type:
---

AlogP:
2.31

Polar Surface Area:
48.30

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5273417

Name:
N-methylflindersine

Mol. Formula:
C15H17NO2

M.W.:
243.31

Type:
---

AlogP:
2.69

Polar Surface Area:
29.54

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA5273048

Name:
2'R,3'-Acetyl-3',3'-dimethyl-8-methoxy-6,7-dihydro
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Mol. Formula:
C17H18O6

M.W.:
318.33

Type:
---

AlogP:
2.45

Polar Surface Area:
74.97

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5271547

Name:
N-methylatanine

Mol. Formula:
C16H19NO2

M.W.:
257.33

Type:
---

AlogP:
3.06

Polar Surface Area:
31.23

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5267763

Name:
Isogosferol

Mol. Formula:
C16H14O5

M.W.:
286.28

Type:
---

AlogP:
2.86

Polar Surface Area:
72.81

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5267077

Name:
5-Methoxy-1-methyl-2-(4-hydroxyphenyl)-4-quinolone

Mol. Formula:
C17H15NO3

M.W.:
281.31

Type:
---

AlogP:
2.92

Polar Surface Area:
51.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5266890

Name:
7-((2'E,5'E)-7'-methoxy-3',7'-dimethylocta-2',5'-d
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Mol. Formula:
C20H24O4

M.W.:
328.41

Type:
---

AlogP:
4.49

Polar Surface Area:
48.67

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5220642

Name:
8-methoxy naphthalen-1-ol

Cas Number:
3588-75-8

Mol. Formula:
C11H10O2

M.W.:
174.20

1 activity values

1 unique targets

Type:
---

AlogP:
2.55

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA5220260

Name:
Nodulisporin A

Mol. Formula:
C22H18O4

M.W.:
346.38

19 activity values

7 unique targets

Type:
---

AlogP:
5.09

Polar Surface Area:
58.92

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS