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ASINEX-ZINC04026026

 MMsINC code: MMs00297234
Type: Neutral
Formula: C14H24O4
SMILES:   O1CCCCOC(=O)CCCCCCCCC1=O
InChI:   InChI=1/C14H24O4/c15-13-9-5-3-1-2-4-6-10-14(16)18-12-8-7-11-17-13/h1-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.8493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -3.18752  SlogP: 2.9874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113911  Sterimol/B1: 2.70195  Sterimol/B2: 3.3512  Sterimol/B3: 5.16795
  Sterimol/B4: 6.55572  Sterimol/L: 11.8444 
 
 Surface and Volume Properties
  Accessible surface: 482.525  Positive charged surface: 358.938  Negative charged surface: 123.586  Volume: 264.125
  Hydrophobic surface: 408.467  Hydrophilic surface: 74.058
 
 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.