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NCID-ZINC01725958

 MMsINC code: MMs02349685
Type: Neutral
Formula: C10H9NO6
SMILES:   O(C(=O)C)c1ccc(OC(=O)C)cc1[N+](=O)[O-]
InChI:   InChI=1/C10H9NO6/c1-6(12)16-8-3-4-10(17-7(2)13)9(5-8)11(14)15/h3-5H,1-2H3

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Potential Energy
Epot(MMFF94)=69.8918 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: 0.0582121  Sterimol/B1: 2.70694  Sterimol/B2: 3.54489  Sterimol/B3: 3.56692
  Sterimol/B4: 5.32496  Sterimol/L: 13.6722 
 
 Surface and Volume Properties
  Accessible surface: 429.302  Positive charged surface: 210.157  Negative charged surface: 219.145  Volume: 200.25
  Hydrophobic surface: 282.963  Hydrophilic surface: 146.339
 
 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.