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NCID-ZINC01583288

 MMsINC code: MMs02240166
Type: Neutral
Formula: C10H11NO5
SMILES:   O1c2c(cc([N+](=O)[O-])c(OC)c2C)COC1
InChI:   InChI=1/C10H11NO5/c1-6-9-7(4-15-5-16-9)3-8(11(12)13)10(6)14-2/h3H,4-5H2,1-2H3

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Potential Energy
Epot(MMFF94)=66.711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.2 g/mol  logS: -2.40688  SlogP: 2.04472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0588764  Sterimol/B1: 2.01888  Sterimol/B2: 2.18281  Sterimol/B3: 2.96425
  Sterimol/B4: 7.7637  Sterimol/L: 11.3912 
 
 Surface and Volume Properties
  Accessible surface: 397.876  Positive charged surface: 264.751  Negative charged surface: 133.126  Volume: 194.625
  Hydrophobic surface: 265.738  Hydrophilic surface: 132.138
 
 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.