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SIAL-ZINC05260741

 MMsINC code: MMs03926979
Type: Neutral
Formula: C18H34O2
SMILES:   OC(=O)CCCCCCCCCCC\C=C/CCCC
InChI:   InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5-

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Potential Energy
Epot(MMFF94)=15.6224 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: 0.0158857  Sterimol/B1: 2.56053  Sterimol/B2: 2.99237  Sterimol/B3: 3.34214
  Sterimol/B4: 6.79011  Sterimol/L: 24.4195 
 
 Surface and Volume Properties
  Accessible surface: 681.109  Positive charged surface: 535.35  Negative charged surface: 145.758  Volume: 331
  Hydrophobic surface: 535.388  Hydrophilic surface: 145.721
 
 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


MMs03926980
SIAL-ZINC05260741