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PUBCHEM-ZINC02042353

 MMsINC code: MMs02863526
Type: Neutral
Formula: C12H24O3
SMILES:   O(C(=O)CC(O)(CCCCCC)C)CC
InChI:   InChI=1/C12H24O3/c1-4-6-7-8-9-12(3,14)10-11(13)15-5-2/h14H,4-10H2,1-3H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=20.3835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.321 g/mol  logS: -2.92237  SlogP: 2.661  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0499315  Sterimol/B1: 3.08207  Sterimol/B2: 3.11863  Sterimol/B3: 3.28837
  Sterimol/B4: 6.48707  Sterimol/L: 16.2334 
 
 Surface and Volume Properties
  Accessible surface: 505.525  Positive charged surface: 389.252  Negative charged surface: 116.273  Volume: 238.625
  Hydrophobic surface: 385.865  Hydrophilic surface: 119.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.