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NCID-ZINC01648364

 MMsINC code: MMs02288515
Type: Neutral
Formula: C10H11NO5
SMILES:   O(C(OCC)=O)c1ccc(cc1[N+](=O)[O-])C
InChI:   InChI=1/C10H11NO5/c1-3-15-10(12)16-9-5-4-7(2)6-8(9)11(13)14/h4-6H,3H2,1-2H3

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Potential Energy
Epot(MMFF94)=55.7049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.2 g/mol  logS: -3.39922  SlogP: 2.43852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0401835  Sterimol/B1: 2.93393  Sterimol/B2: 3.05995  Sterimol/B3: 3.61579
  Sterimol/B4: 5.40078  Sterimol/L: 14.1942 
 
 Surface and Volume Properties
  Accessible surface: 438.747  Positive charged surface: 235.781  Negative charged surface: 202.966  Volume: 198.5
  Hydrophobic surface: 299.668  Hydrophilic surface: 139.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.