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MAYBRIDGE-ZINC00166758

 MMsINC code: MMs02145295
Type: Neutral
Formula: C13H11NO4
SMILES:   O(c1ccccc1[N+](=O)[O-])c1ccccc1OC
InChI:   InChI=1/C13H11NO4/c1-17-12-8-4-5-9-13(12)18-11-7-3-2-6-10(11)14(15)16/h2-9H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.2713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.234 g/mol  logS: -4.0082  SlogP: 3.3957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239539  Sterimol/B1: 2.41451  Sterimol/B2: 4.56525  Sterimol/B3: 4.7588
  Sterimol/B4: 7.3529  Sterimol/L: 12.1232 
 
 Surface and Volume Properties
  Accessible surface: 453.104  Positive charged surface: 251.177  Negative charged surface: 201.927  Volume: 222.75
  Hydrophobic surface: 371.955  Hydrophilic surface: 81.149
 
 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.