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NCID-ZINC01723816

 MMsINC code: MMs02347952
Type: Neutral
Formula: C19H32O2
SMILES:   O(C(=O)CC\C=C(/CC\C=C(/CCC=C(C)C)\C)\C)CC
InChI:   InChI=1/C19H32O2/c1-6-21-19(20)15-9-14-18(5)13-8-12-17(4)11-7-10-16(2)3/h10,12,14H,6-9,11,13,15H2,1-5H3/b17-12-,18-14-

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Potential Energy
Epot(MMFF94)=58.5717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.463 g/mol  logS: -5.58141  SlogP: 5.7489  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.233224  Sterimol/B1: 2.50476  Sterimol/B2: 4.44942  Sterimol/B3: 5.5089
  Sterimol/B4: 10.055  Sterimol/L: 15.0687 
 
 Surface and Volume Properties
  Accessible surface: 641.978  Positive charged surface: 463.292  Negative charged surface: 178.686  Volume: 341.625
  Hydrophobic surface: 552.942  Hydrophilic surface: 89.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.