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PUBCHEM-ZINC05113158

 MMsINC code: MMs03201508
Type: Ionized
Formula: C10H16O5-2
SMILES:   OC(CCCCCCCC(=O)[O-])C(=O)[O-]
InChI:   InChI=1/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)/p-2/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=24.3055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.233 g/mol  logS: -1.93347  SlogP: -1.4222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0353268  Sterimol/B1: 2.65404  Sterimol/B2: 2.81303  Sterimol/B3: 2.94416
  Sterimol/B4: 3.80532  Sterimol/L: 16.9055 
 
 Surface and Volume Properties
  Accessible surface: 455.25  Positive charged surface: 279.913  Negative charged surface: 175.336  Volume: 205.375
  Hydrophobic surface: 237.398  Hydrophilic surface: 217.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 4  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:


MMs03201507
PUBCHEM-ZINC05113158