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PUBCHEM-ZINC03141637

 MMsINC code: MMs03000796
Type: Neutral
Formula: C12H11ClO7P2
SMILES:   Clc1ccc(OP(OP(Oc2ccccc2)(O)=O)(O)=O)cc1
InChI:   InChI=1/C12H11ClO7P2/c13-10-6-8-12(9-7-10)19-22(16,17)20-21(14,15)18-11-4-2-1-3-5-11/h1-9H,(H,14,15)(H,16,17)

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Potential Energy
Epot(MMFF94)=-35.9594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.614 g/mol  logS: -3.44679  SlogP: 1.8748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0156356  Sterimol/B1: 2.66216  Sterimol/B2: 3.11303  Sterimol/B3: 3.5504
  Sterimol/B4: 4.39336  Sterimol/L: 18.9615 
 
 Surface and Volume Properties
  Accessible surface: 556.789  Positive charged surface: 232.509  Negative charged surface: 324.28  Volume: 277.125
  Hydrophobic surface: 395.814  Hydrophilic surface: 160.975
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.