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NCID-ZINC01707918

 MMsINC code: MMs02335967
Type: Neutral
Formula: C10H10O6
SMILES:   O1C=C(OC(=O)C)C(=O)C=C1COC(=O)C
InChI:   InChI=1/C10H10O6/c1-6(11)14-4-8-3-9(13)10(5-15-8)16-7(2)12/h3,5H,4H2,1-2H3

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Potential Energy
Epot(MMFF94)=39.1065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.184 g/mol  logS: -2.06082  SlogP: 0.4372  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0605082  Sterimol/B1: 2.27703  Sterimol/B2: 2.48473  Sterimol/B3: 4.16895
  Sterimol/B4: 5.02105  Sterimol/L: 14.8764 
 
 Surface and Volume Properties
  Accessible surface: 440.387  Positive charged surface: 236.542  Negative charged surface: 203.845  Volume: 196.25
  Hydrophobic surface: 306.573  Hydrophilic surface: 133.814
 
 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.