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PUBCHEM-ZINC04557095

 MMsINC code: MMs03133769
Type: Neutral
Formula: C16H32O2
SMILES:   O(C(=O)CCCCCCCCCCCC(C)C)C
InChI:   InChI=1/C16H32O2/c1-15(2)13-11-9-7-5-4-6-8-10-12-14-16(17)18-3/h15H,4-14H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.7919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.43 g/mol  logS: -6.39048  SlogP: 5.1065  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0157173  Sterimol/B1: 2.0984  Sterimol/B2: 2.51403  Sterimol/B3: 3.46002
  Sterimol/B4: 4.47563  Sterimol/L: 23.3515 
 
 Surface and Volume Properties
  Accessible surface: 624.74  Positive charged surface: 514.649  Negative charged surface: 110.091  Volume: 302.125
  Hydrophobic surface: 540.588  Hydrophilic surface: 84.152
 
 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.