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NCID-ZINC01696848

 MMsINC code: MMs02327547
Type: Neutral
Formula: C11H14O
SMILES:   OC(\C=C(/C)\c1ccccc1)C
InChI:   InChI=1/C11H14O/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-8,10,12H,1-2H3/b9-8+/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=36.9446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.232 g/mol  logS: -2.31933  SlogP: 2.4707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118618  Sterimol/B1: 2.7928  Sterimol/B2: 3.42623  Sterimol/B3: 3.61515
  Sterimol/B4: 4.9577  Sterimol/L: 12.2706 
 
 Surface and Volume Properties
  Accessible surface: 390.844  Positive charged surface: 241.476  Negative charged surface: 149.368  Volume: 181.625
  Hydrophobic surface: 317.089  Hydrophilic surface: 73.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.