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PUBCHEM-ZINC06118802

 MMsINC code: MMs03547803
Type: Neutral
Formula: C11H11O4P
SMILES:   P(O)(O)(=O)C(O)c1cc2c(cc1)cccc2
InChI:   InChI=1/C11H11O4P/c12-11(16(13,14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-12H,(H2,13,14,15)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=32.6075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.179 g/mol  logS: -2.24499  SlogP: 1.0337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0688469  Sterimol/B1: 3.09782  Sterimol/B2: 3.54948  Sterimol/B3: 4.01006
  Sterimol/B4: 4.35503  Sterimol/L: 13.1764 
 
 Surface and Volume Properties
  Accessible surface: 424.157  Positive charged surface: 205.732  Negative charged surface: 207.353  Volume: 205.25
  Hydrophobic surface: 257.404  Hydrophilic surface: 166.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.