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MAYBRIDGE-ZINC00170570

 MMsINC code: MMs02145920
Type: Neutral
Formula: C10H9NO6
SMILES:   O(C(=O)C)c1cccc(OC(=O)C)c1[N+](=O)[O-]
InChI:   InChI=1/C10H9NO6/c1-6(12)16-8-4-3-5-9(17-7(2)13)10(8)11(14)15/h3-5H,1-2H3

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Potential Energy
Epot(MMFF94)=69.5411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.183 g/mol  logS: -2.88215  SlogP: 1.4454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519001  Sterimol/B1: 2.68988  Sterimol/B2: 3.12855  Sterimol/B3: 3.17955
  Sterimol/B4: 6.5493  Sterimol/L: 12.9896 
 
 Surface and Volume Properties
  Accessible surface: 430.13  Positive charged surface: 204.767  Negative charged surface: 225.363  Volume: 200.875
  Hydrophobic surface: 294.409  Hydrophilic surface: 135.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.