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PUBCHEM-ZINC03121638

 MMsINC code: MMs02996467
Type: Neutral
Formula: C12H10O4P2
SMILES:   P1(OP(O1)(=O)c1ccccc1)(=O)c1ccccc1
InChI:   InChI=1/C12H10O4P2/c13-17(11-7-3-1-4-8-11)15-18(14,16-17)12-9-5-2-6-10-12/h1-10H/t17-,18+

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Potential Energy
Epot(MMFF94)=32.4423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.156 g/mol  logS: -3.1435  SlogP: 0.93  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675155  Sterimol/B1: 2.48247  Sterimol/B2: 3.13448  Sterimol/B3: 3.95983
  Sterimol/B4: 5.47681  Sterimol/L: 14.1343 
 
 Surface and Volume Properties
  Accessible surface: 476.16  Positive charged surface: 193.74  Negative charged surface: 282.419  Volume: 231.125
  Hydrophobic surface: 377.577  Hydrophilic surface: 98.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.