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PUBCHEM-ZINC02044433

 MMsINC code: MMs02864384
Type: Neutral
Formula: C10H18O5
SMILES:   O(C(=O)C(O)CC(OCCC)=O)CCC
InChI:   InChI=1/C10H18O5/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h8,11H,3-7H2,1-2H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=17.4101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.249 g/mol  logS: -1.14422  SlogP: 0.6438  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0300573  Sterimol/B1: 2.84906  Sterimol/B2: 2.90049  Sterimol/B3: 3.11286
  Sterimol/B4: 5.54811  Sterimol/L: 16.6389 
 
 Surface and Volume Properties
  Accessible surface: 488.698  Positive charged surface: 352.481  Negative charged surface: 136.217  Volume: 216.625
  Hydrophobic surface: 327.308  Hydrophilic surface: 161.39
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.