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ACROSORGANICS-ZINC01686985

 MMsINC code: MMs00010921
Type: Neutral
Formula: C7H7NO3
SMILES:   O(C)c1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.137 g/mol  logS: -2.22549  SlogP: 1.6034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0218562  Sterimol/B1: 2.37329  Sterimol/B2: 2.37583  Sterimol/B3: 4.53118
  Sterimol/B4: 4.70233  Sterimol/L: 9.54831 
 
 Surface and Volume Properties
  Accessible surface: 323.537  Positive charged surface: 179.949  Negative charged surface: 143.588  Volume: 135.625
  Hydrophobic surface: 242.178  Hydrophilic surface: 81.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.