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PUBCHEM-ZINC05735486

 MMsINC code: MMs03365433
Type: Neutral
Formula: C15H24O
SMILES:   O1C2C1CC(\C=C/CC(\C=C\CC2C)C)C
InChI:   InChI=1/C15H24O/c1-11-6-4-8-12(2)10-14-15(16-14)13(3)9-5-7-11/h4-5,7-8,11-15H,6,9-10H2,1-3H3/b7-5-,8-4-/t11-,12+,13-,14-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=75.6058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.356 g/mol  logS: -2.83283  SlogP: 3.9584  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.379915  Sterimol/B1: 3.26425  Sterimol/B2: 3.84651  Sterimol/B3: 4.37379
  Sterimol/B4: 5.64236  Sterimol/L: 10.7677 
 
 Surface and Volume Properties
  Accessible surface: 422.906  Positive charged surface: 297.5  Negative charged surface: 125.406  Volume: 248.5
  Hydrophobic surface: 324.86  Hydrophilic surface: 98.046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.