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CHEMBLOCK-ZINC04782706

 MMsINC code: MMs00579347
Type: Neutral
Formula: C11H11NO7
SMILES:   O1c2cc([N+](=O)[O-])c(OCC(OCC)=O)cc2OC1
InChI:   InChI=1/C11H11NO7/c1-2-16-11(13)5-17-8-4-10-9(18-6-19-10)3-7(8)12(14)15/h3-4H,2,5-6H2,1H3

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Potential Energy
Epot(MMFF94)=75.8003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.209 g/mol  logS: -2.91597  SlogP: 1.2654  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0151152  Sterimol/B1: 2.46886  Sterimol/B2: 2.69592  Sterimol/B3: 3.14333
  Sterimol/B4: 6.69287  Sterimol/L: 15.4682 
 
 Surface and Volume Properties
  Accessible surface: 483.794  Positive charged surface: 299.114  Negative charged surface: 184.68  Volume: 220.125
  Hydrophobic surface: 285.818  Hydrophilic surface: 197.976
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.