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SIAL-ZINC03137039

 MMsINC code: MMs03915436
Type: Ionized
Formula: C11H21O4-
SMILES:   OC(CCCCCCCCC(=O)[O-])CO
InChI:   InChI=1/C11H22O4/c12-9-10(13)7-5-3-1-2-4-6-8-11(14)15/h10,12-13H,1-9H2,(H,14,15)/p-1/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=13.7373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.285 g/mol  logS: -1.98986  SlogP: 0.2103  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256442  Sterimol/B1: 2.56104  Sterimol/B2: 2.66723  Sterimol/B3: 2.84084
  Sterimol/B4: 3.73709  Sterimol/L: 18.4661 
 
 Surface and Volume Properties
  Accessible surface: 490.333  Positive charged surface: 351.627  Negative charged surface: 138.705  Volume: 227.875
  Hydrophobic surface: 310.962  Hydrophilic surface: 179.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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:


MMs03915435
SIAL-ZINC03137039