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PUBCHEM-ZINC02561351

 MMsINC code: MMs02901130
Type: Neutral
Formula: C11H22O3
SMILES:   O(C(=O)CCCCCCCCCO)C
InChI:   InChI=1/C11H22O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h12H,2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.11475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.294 g/mol  logS: -2.34428  SlogP: 2.2725  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0207495  Sterimol/B1: 2.37499  Sterimol/B2: 2.37594  Sterimol/B3: 2.73928
  Sterimol/B4: 3.13238  Sterimol/L: 19.2882 
 
 Surface and Volume Properties
  Accessible surface: 496.552  Positive charged surface: 412.483  Negative charged surface: 84.0691  Volume: 223.125
  Hydrophobic surface: 399.31  Hydrophilic surface: 97.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.