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ENAMINE-ZINC05109373

 MMsINC code: MMs01586972
Type: Neutral
Formula: C14H11NO5
SMILES:   O1c2cc(ccc2OC1)COc1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C14H11NO5/c16-15(17)11-3-1-2-4-12(11)18-8-10-5-6-13-14(7-10)20-9-19-13/h1-7H,8-9H2

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Potential Energy
Epot(MMFF94)=87.4189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.244 g/mol  logS: -3.94849  SlogP: 3.1689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0763869  Sterimol/B1: 3.10912  Sterimol/B2: 3.56847  Sterimol/B3: 4.45078
  Sterimol/B4: 5.61759  Sterimol/L: 15.3733 
 
 Surface and Volume Properties
  Accessible surface: 487.413  Positive charged surface: 265.319  Negative charged surface: 222.094  Volume: 239.125
  Hydrophobic surface: 349.616  Hydrophilic surface: 137.797
 
 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.