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SIAL-ZINC05260793

 MMsINC code: MMs03926995
Type: Neutral
Formula: C16H30O2
SMILES:   O(C(=O)CCCCCCCC\C=C/CCCC)C
InChI:   InChI=1/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h6-7H,3-5,8-15H2,1-2H3/b7-6-

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Potential Energy
Epot(MMFF94)=25.9129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.414 g/mol  logS: -5.85306  SlogP: 5.0266  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0188044  Sterimol/B1: 2.55468  Sterimol/B2: 2.97785  Sterimol/B3: 3.34295
  Sterimol/B4: 6.75235  Sterimol/L: 22.1173 
 
 Surface and Volume Properties
  Accessible surface: 624.01  Positive charged surface: 506.34  Negative charged surface: 117.67  Volume: 298.875
  Hydrophobic surface: 533.146  Hydrophilic surface: 90.864
 
 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.