ALA4176193Name:
2-(4-methylcyclohex-3-enyl)propan-2-yl 2-(4-oxopiperidin-1-yl)acetateMol. Formula:
C17H27NO3M.W.:
293.41Type:
Small moleculeAlogP:
2.72Polar Surface Area:
46.61HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA4174190Name:
2-(4-methylcyclohex-3-enyl)propan-2-yl 2-(piperidin-1-yl)acetateMol. Formula:
C17H29NO2M.W.:
279.42Type:
Small moleculeAlogP:
3.54Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA4173081Name:
2-(4-methylcyclohex-3-enyl)propan-2-yl tetradecanoateMol. Formula:
C24H44O2M.W.:
364.61Type:
Small moleculeAlogP:
7.76Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.18DETAILS
ALA4172813Name:
2-(4-methylcyclohex-3-enyl)propan-2-yl 2-(diethylamino)acetateMol. Formula:
C16H29NO2M.W.:
267.41Type:
Small moleculeAlogP:
3.40Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA4172369Name:
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-(nitrooxy)acetateMol. Formula:
C12H19NO5M.W.:
257.29Type:
Small moleculeAlogP:
2.26Polar Surface Area:
78.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS-
Type:
Small moleculeAlogP:
2.58Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.62DETAILS - ALA4169675
Name:
2-(4-methylcyclohex-3-enyl)propan-2-yl isobutyrateMol. Formula:
C14H24O2M.W.:
224.34Type:
Small moleculeAlogP:
3.71Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
1.98Polar Surface Area:
49.77HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4164490
Name:
2-(4-methylcyclohexyl)propan-2-yl 2-morpholinoacetateMol. Formula:
C16H27NO3M.W.:
281.40Type:
Small moleculeAlogP:
2.39Polar Surface Area:
38.77HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
2.68Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.10Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
9.32Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.13DETAILS - Terpinyl butyrate, mixture of isomers
Name:
2-(4-methylcyclohex-3-enyl)propan-2-yl butyrateMol. Formula:
C14H24O2M.W.:
224.34Type:
Small moleculeAlogP:
3.85Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
3.46Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.07Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS
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