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PUBCHEM-ZINC05133749

 MMsINC code: MMs03208664
Type: Neutral
Formula: C11H20O3
SMILES:   O1CCCCCCCCCCOC1=O
InChI:   InChI=1/C11H20O3/c12-11-13-9-7-5-3-1-2-4-6-8-10-14-11/h1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.4063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.278 g/mol  logS: -3.09233  SlogP: 3.274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149112  Sterimol/B1: 2.49245  Sterimol/B2: 2.69514  Sterimol/B3: 3.19341
  Sterimol/B4: 7.06893  Sterimol/L: 10.3732 
 
 Surface and Volume Properties
  Accessible surface: 390.373  Positive charged surface: 313.136  Negative charged surface: 77.2367  Volume: 209.25
  Hydrophobic surface: 344.129  Hydrophilic surface: 46.244
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.