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PUBCHEM-ZINC02037401

 MMsINC code: MMs02861912
Type: Neutral
Formula: C15H30O2
SMILES:   O(C(=O)CCCCCCCCCCC(C)C)C
InChI:   InChI=1/C15H30O2/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.7894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.403 g/mol  logS: -5.87526  SlogP: 4.7164  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0180505  Sterimol/B1: 2.33572  Sterimol/B2: 2.70931  Sterimol/B3: 3.27965
  Sterimol/B4: 4.26653  Sterimol/L: 22.101 
 
 Surface and Volume Properties
  Accessible surface: 588.596  Positive charged surface: 486.781  Negative charged surface: 101.815  Volume: 285.625
  Hydrophobic surface: 504.129  Hydrophilic surface: 84.467
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.