Type:
Small moleculeAlogP:
2.40Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.54DETAILS
ALA3729392Name:
2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-olMol. Formula:
C13H22OM.W.:
194.32Type:
Small moleculeAlogP:
3.31Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
Small moleculeAlogP:
5.28Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
Small moleculeAlogP:
4.26Polar Surface Area:
9.23HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.66DETAILS
ALA3733151Name:
4,7,7-trimethyl-spirobicyclo[2.2.1]heptane-2,1-cyclopentan-3-oneMol. Formula:
C14H22OM.W.:
206.33Type:
Small moleculeAlogP:
3.57Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.59DETAILS-
Type:
Small moleculeAlogP:
2.44Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
2.78Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
3.25Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA3728760
Name:
dodecahydro-3a,6,6,9a-tetramethyl-naphtho[2,1-b]furanMol. Formula:
C16H28OM.W.:
236.40Type:
Small moleculeAlogP:
4.41Polar Surface Area:
9.23HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
1.99Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.57DETAILS - ALA3727737
Name:
4-(1-ethoxyvinyl)-3,3,5,5-tetramethyl-cyclohexanoneMol. Formula:
C14H24O2M.W.:
224.34Type:
Small moleculeAlogP:
3.57Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
4.18Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
3.70Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
2.43Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.97Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
Small moleculeAlogP:
2.42Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
4.67Polar Surface Area:
18.46HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA3728992
Name:
2-(2-(4-methyl)-3-cyclohexen-1-yl)-propylcyclopentanoneMol. Formula:
C15H24OM.W.:
220.36Type:
Small moleculeAlogP:
4.13Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
4.78Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.46DETAILS - (E)-1-Benzyloxy-2-methoxy-4-(1-propenyl)benzene
Name:
2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-benzeneMol. Formula:
C17H18O2M.W.:
254.33Type:
Small moleculeAlogP:
4.31Polar Surface Area:
18.46HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILS
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