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ACROSORGANICS-ZINC03860311

 MMsINC code: MMs00015350
Type: Neutral
Formula: C15H28O
SMILES:   O=C1CCCCCCCCCCCCCC1
InChI:   InChI=1/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.2444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.388 g/mol  logS: -5.39031  SlogP: 5.0305  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139031  Sterimol/B1: 2.45358  Sterimol/B2: 2.69625  Sterimol/B3: 3.62827
  Sterimol/B4: 8.63724  Sterimol/L: 11.7425 
 
 Surface and Volume Properties
  Accessible surface: 456.6  Positive charged surface: 362.595  Negative charged surface: 94.0053  Volume: 262.25
  Hydrophobic surface: 423.517  Hydrophilic surface: 33.083
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.