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PUBCHEM-ZINC02043452

 MMsINC code: MMs02864067
Type: Neutral
Formula: C12H10F4O6P2
SMILES:   P(O)(O)(=O)C(F)(F)c1cc2cc(ccc2cc1)C(P(O)(O)=O)(F)F
InChI:   InChI=1/C12H10F4O6P2/c13-11(14,23(17,18)19)9-3-1-7-2-4-10(6-8(7)5-9)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)

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Potential Energy
Epot(MMFF94)=65.0956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.146 g/mol  logS: -3.38944  SlogP: 1.7764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103891  Sterimol/B1: 2.61744  Sterimol/B2: 3.16709  Sterimol/B3: 3.94285
  Sterimol/B4: 5.95237  Sterimol/L: 15.2999 
 
 Surface and Volume Properties
  Accessible surface: 511.584  Positive charged surface: 183.01  Negative charged surface: 320.749  Volume: 268.75
  Hydrophobic surface: 155.819  Hydrophilic surface: 355.765
 
 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.