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PUBCHEM-ZINC05287109

 MMsINC code: MMs03233746
Type: Ionized
Formula: C17H33O3-
SMILES:   OCCCCCCCCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C17H34O3/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h18H,1-16H2,(H,19,20)/p-1

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Potential Energy
Epot(MMFF94)=2.52659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.448 g/mol  logS: -5.79894  SlogP: 3.5801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0114521  Sterimol/B1: 2.41677  Sterimol/B2: 2.45144  Sterimol/B3: 2.96064
  Sterimol/B4: 3.04947  Sterimol/L: 26.0321 
 
 Surface and Volume Properties
  Accessible surface: 674.164  Positive charged surface: 524.694  Negative charged surface: 149.469  Volume: 319.625
  Hydrophobic surface: 526.345  Hydrophilic surface: 147.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1
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Parent related molecule:


MMs03233745
PUBCHEM-ZINC05287109