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CHEMBRIDGE-ZINC02983905

 MMsINC code: MMs00745301
Type: Neutral
Formula: C15H15NO5
SMILES:   O(CCOc1ccccc1OC)c1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C15H15NO5/c1-19-14-8-4-5-9-15(14)21-11-10-20-13-7-3-2-6-12(13)16(17)18/h2-9H,10-11H2,1H3

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Potential Energy
Epot(MMFF94)=104.246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.287 g/mol  logS: -4.12059  SlogP: 3.0612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.080839  Sterimol/B1: 2.26828  Sterimol/B2: 2.30611  Sterimol/B3: 5.48119
  Sterimol/B4: 6.8541  Sterimol/L: 15.8227 
 
 Surface and Volume Properties
  Accessible surface: 536.709  Positive charged surface: 325.835  Negative charged surface: 210.874  Volume: 266.25
  Hydrophobic surface: 451.453  Hydrophilic surface: 85.256
 
 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.