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PUBCHEM-ZINC06018749

 MMsINC code: MMs03494324
Type: Neutral
Formula: C10H11NO5
SMILES:   O1c2cc(OC)ccc2N(O)C(=O)C1OC
InChI:   InChI=1/C10H11NO5/c1-14-6-3-4-7-8(5-6)16-10(15-2)9(12)11(7)13/h3-5,10,13H,1-2H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=83.5954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.2 g/mol  logS: -1.66333  SlogP: 0.7823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0564791  Sterimol/B1: 3.01598  Sterimol/B2: 3.11488  Sterimol/B3: 3.42512
  Sterimol/B4: 5.8204  Sterimol/L: 12.2489 
 
 Surface and Volume Properties
  Accessible surface: 413.994  Positive charged surface: 289.011  Negative charged surface: 124.983  Volume: 196.375
  Hydrophobic surface: 293.662  Hydrophilic surface: 120.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.