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PUBCHEM-ZINC06096082

 MMsINC code: MMs03542184
Type: Neutral
Formula: C8H10O6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)=Cc1ccccc1
InChI:   InChI=1/C8H10O6P2/c9-15(10,11)8(16(12,13)14)6-7-4-2-1-3-5-7/h1-6H,(H2,9,10,11)(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=-61.6095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.11 g/mol  logS: -0.64673  SlogP: -0.8  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120819  Sterimol/B1: 2.87243  Sterimol/B2: 3.88174  Sterimol/B3: 3.96864
  Sterimol/B4: 4.25419  Sterimol/L: 12.2618 
 
 Surface and Volume Properties
  Accessible surface: 411.914  Positive charged surface: 200.522  Negative charged surface: 211.392  Volume: 201.25
  Hydrophobic surface: 188.395  Hydrophilic surface: 223.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.