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PUBCHEM-ZINC03871034

 MMsINC code: MMs03080148
Type: Neutral
Formula: C13H14O8P2
SMILES:   P(Oc1ccc(cc1)Cc1ccc(OP(O)(O)=O)cc1)(O)(O)=O
InChI:   InChI=1/C13H14O8P2/c14-22(15,16)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-23(17,18)19/h1-8H,9H2,(H2,14,15,16)(H2,17,18,19)

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Potential Energy
Epot(MMFF94)=-68.3767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.195 g/mol  logS: -2.48682  SlogP: 0.07997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534365  Sterimol/B1: 2.62865  Sterimol/B2: 3.38565  Sterimol/B3: 3.96485
  Sterimol/B4: 4.88268  Sterimol/L: 18.7586 
 
 Surface and Volume Properties
  Accessible surface: 551.918  Positive charged surface: 279.674  Negative charged surface: 272.244  Volume: 283.375
  Hydrophobic surface: 261.37  Hydrophilic surface: 290.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  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.