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PUBCHEM-ZINC05998384

 MMsINC code: MMs03482426
Type: Neutral
Formula: C8H9O5P
SMILES:   P(Oc1ccc(cc1)C=O)(OC)(O)=O
InChI:   InChI=1/C8H9O5P/c1-12-14(10,11)13-8-4-2-7(6-9)3-5-8/h2-6H,1H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=0.510966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.129 g/mol  logS: -1.22895  SlogP: 0.5545  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0375866  Sterimol/B1: 2.52462  Sterimol/B2: 3.1812  Sterimol/B3: 3.38381
  Sterimol/B4: 3.88238  Sterimol/L: 13.7339 
 
 Surface and Volume Properties
  Accessible surface: 396.922  Positive charged surface: 241.512  Negative charged surface: 155.411  Volume: 177.875
  Hydrophobic surface: 242.658  Hydrophilic surface: 154.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.