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NCID-ZINC01695565

 MMsINC code: MMs02326518
Type: Neutral
Formula: C10H16O5
SMILES:   O(C(=O)C/C(/OC)=C\C(OCC)=O)CC
InChI:   InChI=1/C10H16O5/c1-4-14-9(11)6-8(13-3)7-10(12)15-5-2/h6H,4-5,7H2,1-3H3/b8-6-

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Potential Energy
Epot(MMFF94)=37.0471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.233 g/mol  logS: -1.53545  SlogP: 1.033  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0421218  Sterimol/B1: 2.94737  Sterimol/B2: 3.04873  Sterimol/B3: 3.20637
  Sterimol/B4: 6.4936  Sterimol/L: 15.9297 
 
 Surface and Volume Properties
  Accessible surface: 480.201  Positive charged surface: 365.161  Negative charged surface: 115.04  Volume: 212.625
  Hydrophobic surface: 354.653  Hydrophilic surface: 125.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.