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PUBCHEM-ZINC02567048

 MMsINC code: MMs02902162
Type: Neutral
Formula: C10H14NO6P
SMILES:   P(OC)(OC)(=O)C(O)(C)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C10H14NO6P/c1-10(12,18(15,16-2)17-3)8-4-6-9(7-5-8)11(13)14/h4-7,12H,1-3H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=90.4295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.197 g/mol  logS: -2.35014  SlogP: 1.487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167007  Sterimol/B1: 1.97453  Sterimol/B2: 2.88643  Sterimol/B3: 5.49693
  Sterimol/B4: 6.23748  Sterimol/L: 14.0295 
 
 Surface and Volume Properties
  Accessible surface: 465.175  Positive charged surface: 274.108  Negative charged surface: 191.067  Volume: 230.875
  Hydrophobic surface: 309.196  Hydrophilic surface: 155.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.