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ASINEX-ZINC03881672

 MMsINC code: MMs00291611
Type: Neutral
Formula: C15H28O3
SMILES:   O1CCCCOCCCCCCCCCCC1=O
InChI:   InChI=1/C15H28O3/c16-15-11-7-5-3-1-2-4-6-8-12-17-13-9-10-14-18-15/h1-14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.2135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.386 g/mol  logS: -3.75706  SlogP: 3.8509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11402  Sterimol/B1: 2.33902  Sterimol/B2: 3.81517  Sterimol/B3: 5.44241
  Sterimol/B4: 6.48721  Sterimol/L: 11.9474 
 
 Surface and Volume Properties
  Accessible surface: 499.714  Positive charged surface: 397.214  Negative charged surface: 102.499  Volume: 282
  Hydrophobic surface: 458.04  Hydrophilic surface: 41.674
 
 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.