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AURORAFEINCHEMIE-ZINC01708364

 MMsINC code: MMs00448843
Type: Neutral
Formula: C10H14O
SMILES:   O=C1C2C3C(C(C1)C2)CCC3
InChI:   InChI=1/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2/t6-,7-,8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=45.3457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.221 g/mol  logS: -2.29668  SlogP: 2.0116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.304616  Sterimol/B1: 2.95007  Sterimol/B2: 3.56887  Sterimol/B3: 3.72761
  Sterimol/B4: 3.76942  Sterimol/L: 9.50094 
 
 Surface and Volume Properties
  Accessible surface: 328.967  Positive charged surface: 235.784  Negative charged surface: 93.1833  Volume: 156.625
  Hydrophobic surface: 282.708  Hydrophilic surface: 46.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.