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PUBCHEM-ZINC05359031

 MMsINC code: MMs03247962
Type: Neutral
Formula: C14H24O2
SMILES:   O(C(=O)C(C)C)C1CC2CCC1(C)C2(C)C
InChI:   InChI=1/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=75.6406 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.344 g/mol  logS: -3.21269  SlogP: 3.4004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182324  Sterimol/B1: 2.3849  Sterimol/B2: 3.66147  Sterimol/B3: 4.40449
  Sterimol/B4: 5.54948  Sterimol/L: 12.597 
 
 Surface and Volume Properties
  Accessible surface: 445.758  Positive charged surface: 316.336  Negative charged surface: 129.422  Volume: 245.375
  Hydrophobic surface: 340.725  Hydrophilic surface: 105.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.