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IBS-ZINC06645418

 MMsINC code: MMs01958837
Type: Neutral
Formula: C11H18O
SMILES:   O=C\C=C(\CC\C=C(\CC)/C)/C
InChI:   InChI=1/C11H18O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8-9H,4-5,7H2,1-3H3/b10-6-,11-8-

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Potential Energy
Epot(MMFF94)=36.7852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.264 g/mol  logS: -3.1492  SlogP: 3.2681  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.118099  Sterimol/B1: 3.01829  Sterimol/B2: 3.18618  Sterimol/B3: 3.21771
  Sterimol/B4: 5.52576  Sterimol/L: 11.6378 
 
 Surface and Volume Properties
  Accessible surface: 401.45  Positive charged surface: 255.149  Negative charged surface: 146.301  Volume: 197.375
  Hydrophobic surface: 312.639  Hydrophilic surface: 88.811
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.