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PUBCHEM-ZINC02047561

 MMsINC code: MMs02865446
Type: Neutral
Formula: C7H10O6P2
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)c1ccccc1
InChI:   InChI=1/C7H10O6P2/c8-14(9,10)7(15(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13)

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Potential Energy
Epot(MMFF94)=-52.3917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.099 g/mol  logS: 0.09987  SlogP: -1.0043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.257575  Sterimol/B1: 3.49497  Sterimol/B2: 4.10386  Sterimol/B3: 4.22734
  Sterimol/B4: 4.81148  Sterimol/L: 11.0434 
 
 Surface and Volume Properties
  Accessible surface: 394.031  Positive charged surface: 196.617  Negative charged surface: 197.414  Volume: 188.625
  Hydrophobic surface: 170.645  Hydrophilic surface: 223.386
 
 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.