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ACROSORGANICS-ZINC03861155

 MMsINC code: MMs00015760
Type: Neutral
Formula: C12H18O
SMILES:   O=C(C)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3/t9-,10+,11-,12-

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Potential Energy
Epot(MMFF94)=35.6417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.275 g/mol  logS: -3.32712  SlogP: 2.7918  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.4018  Sterimol/B1: 3.62418  Sterimol/B2: 3.62544  Sterimol/B3: 3.7836
  Sterimol/B4: 3.99467  Sterimol/L: 10.1772 
 
 Surface and Volume Properties
  Accessible surface: 354.557  Positive charged surface: 266.406  Negative charged surface: 88.1509  Volume: 186.25
  Hydrophobic surface: 323.699  Hydrophilic surface: 30.858
 
 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.