Type:
Small moleculeAlogP:
2.40Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.54DETAILS
Type:
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
Type:
Small moleculeAlogP:
3.57Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.59DETAILS- ALA3728897
Name:
cis-4-isopropyl-cyclohexyl-methanolCas Number:
5502-75-0Mol. Formula:
C10H20OM.W.:
156.27Type:
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 - ALA3728427
Name:
2-pentyl-3-methyl-2-cyclopenten-1-oneCas Number:
1128-08-1Mol. Formula:
C11H18OM.W.:
166.26Type:
Small moleculeAlogP:
3.25Polar Surface Area:
17.07HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
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 -
Type:
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 - ALA3729047
Name:
dimethyl benzyl carbinyl acetateCas Number:
14248-22-7Mol. Formula:
C12H16O2M.W.:
192.26Type:
Small moleculeAlogP:
2.43Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.69DETAILS - ALA3729330
Name:
6,10-dimethyl-3-oxa-9-undecenalCas Number:
7492-67-3Mol. Formula:
C12H22O2M.W.:
198.31Type:
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 - ALA3730724
Name:
formaldehyde cyclododecyl ethyl acetalCas Number:
58567-11-6Mol. Formula:
C15H30O2M.W.:
242.40Type:
Small moleculeAlogP:
4.67Polar Surface Area:
18.46HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
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 - ALA3727581
Name:
2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-benzeneCas Number:
92666-21-2Mol. 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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