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CHEMBRIDGE-ZINC04794429

 MMsINC code: MMs00786875
Type: Neutral
Formula: C14H24O4
SMILES:   O1CCOC(=O)CCCCCCCCCCC1=O
InChI:   InChI=1/C14H24O4/c15-13-9-7-5-3-1-2-4-6-8-10-14(16)18-12-11-17-13/h1-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.9842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -3.81442  SlogP: 2.9874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122172  Sterimol/B1: 2.53418  Sterimol/B2: 2.72286  Sterimol/B3: 3.42985
  Sterimol/B4: 8.92559  Sterimol/L: 11.8436 
 
 Surface and Volume Properties
  Accessible surface: 474.479  Positive charged surface: 361.96  Negative charged surface: 112.519  Volume: 266.25
  Hydrophobic surface: 399.789  Hydrophilic surface: 74.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.