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PUBCHEM-ZINC05185093

 MMsINC code: MMs03221419
Type: Ionized
Formula: C15H25O4-
SMILES:   O1CCC(CCCCCCCCCCC(=O)[O-])C1=O
InChI:   InChI=1/C15H26O4/c16-14(17)10-8-6-4-2-1-3-5-7-9-13-11-12-19-15(13)18/h13H,1-12H2,(H,16,17)/p-1/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=6.14605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.361 g/mol  logS: -4.25409  SlogP: 2.2004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0208753  Sterimol/B1: 2.47427  Sterimol/B2: 2.4744  Sterimol/B3: 3.47504
  Sterimol/B4: 4.40962  Sterimol/L: 21.4762 
 
 Surface and Volume Properties
  Accessible surface: 572.727  Positive charged surface: 421.394  Negative charged surface: 151.333  Volume: 283.125
  Hydrophobic surface: 414.33  Hydrophilic surface: 158.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs03221418
PUBCHEM-ZINC05185093