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PUBCHEM-ZINC05761884

 MMsINC code: MMs03375201
Type: Neutral
Formula: C18H34O2
SMILES:   OC(=O)CCCCCCCCCCCCC\C=C\CC
InChI:   InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4H,2,5-17H2,1H3,(H,19,20)/b4-3+

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Potential Energy
Epot(MMFF94)=-0.809986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.468 g/mol  logS: -6.98639  SlogP: 6.1085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0149797  Sterimol/B1: 2.16214  Sterimol/B2: 2.54561  Sterimol/B3: 3.67659
  Sterimol/B4: 5.38315  Sterimol/L: 25.5452 
 
 Surface and Volume Properties
  Accessible surface: 680.416  Positive charged surface: 528.669  Negative charged surface: 151.747  Volume: 333.625
  Hydrophobic surface: 538.691  Hydrophilic surface: 141.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03375202
PUBCHEM-ZINC05761884