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ALA3983336 Name:
incensone
Mol. Formula:
C20H32O2
M.W.:
304.47
Type:
Small molecule
AlogP:
5.38
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3979367 Name:
incensol acetate
Mol. Formula:
C22H36O3
M.W.:
348.53
Type:
Small molecule
AlogP:
5.74
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3975348 Name:
3-epoxyincensol acetate
Mol. Formula:
C22H36O4
M.W.:
364.53
Type:
Small molecule
AlogP:
4.95
Polar Surface Area:
48.06
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3959869 Name:
incensol benzoate
Mol. Formula:
C27H38O3
M.W.:
410.60
Type:
Small molecule
AlogP:
7.03
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3948101 Name:
Incensol cinnamate
Mol. Formula:
C29H40O3
M.W.:
436.64
Type:
Small molecule
AlogP:
7.43
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3943485 Name:
serratol
Mol. Formula:
C20H34O
M.W.:
290.49
Type:
Small molecule
AlogP:
5.96
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA3931428 Name:
sarcophine
Mol. Formula:
C20H28O3
M.W.:
316.44
Type:
Small molecule
AlogP:
4.63
Polar Surface Area:
38.83
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3922508 Name:
epi-incensol
Mol. Formula:
C20H34O2
M.W.:
306.49
Type:
Small molecule
AlogP:
5.17
Polar Surface Area:
29.46
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3913521 Name:
7-epoxyincensol acetate
Mol. Formula:
C22H36O4
M.W.:
364.53
Type:
Small molecule
AlogP:
4.95
Polar Surface Area:
48.06
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3904515 Name:
incensol oxide
Mol. Formula:
C20H34O3
M.W.:
322.49
Type:
Small molecule
AlogP:
4.38
Polar Surface Area:
41.99
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3899770 Name:
Incensol nonanoate
Mol. Formula:
C29H50O3
M.W.:
446.72
Type:
Small molecule
AlogP:
8.47
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3894504 Name:
sarcophytoxide
Mol. Formula:
C20H30O2
M.W.:
302.46
Type:
Small molecule
AlogP:
5.11
Polar Surface Area:
21.76
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA3890789 Name:
Incensol Phenylacetate
Mol. Formula:
C28H40O3
M.W.:
424.63
Type:
Small molecule
AlogP:
6.96
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
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