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PUBCHEM-ZINC03619782

 MMsINC code: MMs03023888
Type: Neutral
Formula: C11H12NO5P
SMILES:   P(Oc1noc(c1)-c1ccccc1)(OC)(OC)=O
InChI:   InChI=1/C11H12NO5P/c1-14-18(13,15-2)17-11-8-10(16-12-11)9-6-4-3-5-7-9/h3-8H,1-2H3

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Potential Energy
Epot(MMFF94)=37.8531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.193 g/mol  logS: -2.92081  SlogP: 2.0511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0251193  Sterimol/B1: 2.26729  Sterimol/B2: 2.41183  Sterimol/B3: 3.31303
  Sterimol/B4: 5.97856  Sterimol/L: 15.6182 
 
 Surface and Volume Properties
  Accessible surface: 472.532  Positive charged surface: 289.713  Negative charged surface: 182.819  Volume: 231.5
  Hydrophobic surface: 385.516  Hydrophilic surface: 87.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.