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NCID-ZINC04537786

 MMsINC code: MMs02390704
Type: Neutral
Formula: C7H7NO2
SMILES:   O(N=O)Cc1ccccc1
InChI:   InChI=1/C7H7NO2/c9-8-10-6-7-4-2-1-3-5-7/h1-5H,6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.6688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 137.138 g/mol  logS: -1.91864  SlogP: 2.151  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819389  Sterimol/B1: 2.96602  Sterimol/B2: 2.9766  Sterimol/B3: 3.6175
  Sterimol/B4: 3.6175  Sterimol/L: 11.133 
 
 Surface and Volume Properties
  Accessible surface: 321.847  Positive charged surface: 139.191  Negative charged surface: 182.656  Volume: 128.625
  Hydrophobic surface: 314.221  Hydrophilic surface: 7.626
 
 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.