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NCID-ZINC01671061

 MMsINC code: MMs02307061
Type: Ionized
Formula: C11H21O3-
SMILES:   OC(CCCCCCCCC(=O)[O-])C
InChI:   InChI=1/C11H22O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)/p-1/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=6.86931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.286 g/mol  logS: -2.51961  SlogP: 1.2379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0275743  Sterimol/B1: 2.51967  Sterimol/B2: 2.72695  Sterimol/B3: 2.82675
  Sterimol/B4: 3.89106  Sterimol/L: 17.9127 
 
 Surface and Volume Properties
  Accessible surface: 478.106  Positive charged surface: 345.542  Negative charged surface: 132.564  Volume: 219.375
  Hydrophobic surface: 319.379  Hydrophilic surface: 158.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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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MMs02307060
NCID-ZINC01671061