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ALA4582858 Name:
Isodamascone
Mol. Formula:
C13H20O
M.W.:
192.30
Type:
Unknown
AlogP:
3.66
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4569846 Name:
Alpha-Methyl Ionone
Mol. Formula:
C14H22O
M.W.:
206.33
Type:
Unknown
AlogP:
3.90
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4567266 Name:
Isobutyl Ionone
Mol. Formula:
C16H26O
M.W.:
234.38
Type:
Unknown
AlogP:
4.54
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4565078 Name:
Beta-Damascone
Mol. Formula:
C13H20O
M.W.:
192.30
Type:
Unknown
AlogP:
3.66
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4547572 Name:
Traseolide
Mol. Formula:
C18H26O
M.W.:
258.40
Type:
Unknown
AlogP:
4.86
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4545716 Name:
Santalone
Mol. Formula:
C11H16O
M.W.:
164.25
Type:
Unknown
AlogP:
2.26
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.58
DETAILS
CLOSE
Type:
Unknown
AlogP:
4.39
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
Type:
Unknown
AlogP:
3.37
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4473713 Name:
Ethyl Saffranate
Mol. Formula:
C12H18O2
M.W.:
194.27
Type:
Unknown
AlogP:
2.85
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.63
DETAILS
CLOSE
Pseudoionone Name:
Pseudoionone
Mol. Formula:
C13H20O
M.W.:
192.30
Type:
Unknown
AlogP:
3.82
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4469235 Name:
Brahmanol
Mol. Formula:
C13H24O
M.W.:
196.33
Type:
Unknown
AlogP:
3.39
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4464953 Name:
Cocoyl Trimethyl-ammonium Chloride
Mol. Formula:
C22H48ClNO3S
M.W.:
442.15
Type:
Unknown
AlogP:
5.91
Polar Surface Area:
43.37
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4462773 Name:
Myristoyl Sarcosine
Mol. Formula:
C17H33NO3
M.W.:
299.45
Type:
Unknown
AlogP:
4.23
Polar Surface Area:
57.61
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4462463 Name:
Linoleamidopropyl Dimethylamine
Mol. Formula:
C23H44N2O
M.W.:
364.62
Type:
Unknown
AlogP:
5.87
Polar Surface Area:
32.34
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4460864 Name:
Dihydro Alpha-Ionone
Mol. Formula:
C13H22O
M.W.:
194.32
Type:
Unknown
AlogP:
3.74
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4442941 Name:
Nonadieneal
Mol. Formula:
C9H14O
M.W.:
138.21
Type:
Unknown
AlogP:
2.49
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4441073 Name:
Isocyclogeraniol
Mol. Formula:
C10H18O
M.W.:
154.25
Type:
Unknown
AlogP:
2.22
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.57
DETAILS
CLOSE
ALA3184724 Name:
SID144212780
Mol. Formula:
C16H24O
M.W.:
232.37
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.45
Polar Surface Area:
57.61
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
Type:
Small molecule
AlogP:
2.24
Polar Surface Area:
69.23
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
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