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NCID-ZINC01870275

 MMsINC code: MMs02376049
Type: Neutral
Formula: C12H12O6P2
SMILES:   P(O)(O)(=O)c1ccc(cc1)-c1ccc(P(O)(O)=O)cc1
InChI:   InChI=1/C12H12O6P2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H2,13,14,15)(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=-37.4151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.17 g/mol  logS: -2.53126  SlogP: -1.1808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.027355  Sterimol/B1: 2.47796  Sterimol/B2: 3.07616  Sterimol/B3: 3.41297
  Sterimol/B4: 4.98725  Sterimol/L: 16.3652 
 
 Surface and Volume Properties
  Accessible surface: 510.644  Positive charged surface: 223.812  Negative charged surface: 275.76  Volume: 251.75
  Hydrophobic surface: 238.189  Hydrophilic surface: 272.455
 
 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.