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PUBCHEM-ZINC04102330

 MMsINC code: MMs03091817
Type: Ionized
Formula: C18H33O2-
SMILES:   O=C([O-])CCCCCCCCCCC1CCCCCC1
InChI:   InChI=1/C18H34O2/c19-18(20)16-12-6-4-2-1-3-5-9-13-17-14-10-7-8-11-15-17/h17H,1-16H2,(H,19,20)/p-1

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Potential Energy
Epot(MMFF94)=17.2364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.46 g/mol  logS: -7.68222  SlogP: 4.6077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219719  Sterimol/B1: 2.70196  Sterimol/B2: 2.80055  Sterimol/B3: 3.63946
  Sterimol/B4: 5.18593  Sterimol/L: 22.2693 
 
 Surface and Volume Properties
  Accessible surface: 635.809  Positive charged surface: 496.935  Negative charged surface: 138.873  Volume: 325.375
  Hydrophobic surface: 537.844  Hydrophilic surface: 97.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs03091816
PUBCHEM-ZINC04102330