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PUBCHEM-ZINC05782899

 MMsINC code: MMs03384118
Type: Neutral
Formula: C11H22O3
SMILES:   O(C(=O)C(O)CCCCCC)CCC
InChI:   InChI=1/C11H22O3/c1-3-5-6-7-8-10(12)11(13)14-9-4-2/h10,12H,3-9H2,1-2H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.2733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.294 g/mol  logS: -2.91501  SlogP: 2.2709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0340871  Sterimol/B1: 2.90001  Sterimol/B2: 2.93847  Sterimol/B3: 3.11223
  Sterimol/B4: 5.6737  Sterimol/L: 16.6686 
 
 Surface and Volume Properties
  Accessible surface: 488.816  Positive charged surface: 372.614  Negative charged surface: 116.203  Volume: 223
  Hydrophobic surface: 365.398  Hydrophilic surface: 123.418
 
 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.