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PUBCHEM-ZINC00398532

 MMsINC code: MMs02674769
Type: Neutral
Formula: C8H9ClN2O2
SMILES:   Clc1cc(NC(=O)NO)ccc1C
InChI:   InChI=1/C8H9ClN2O2/c1-5-2-3-6(4-7(5)9)10-8(12)11-13/h2-4,13H,1H3,(H2,10,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.3483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.625 g/mol  logS: -2.23233  SlogP: 2.15912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0195213  Sterimol/B1: 2.41573  Sterimol/B2: 2.48887  Sterimol/B3: 3.2049
  Sterimol/B4: 4.94216  Sterimol/L: 12.9114 
 
 Surface and Volume Properties
  Accessible surface: 387.057  Positive charged surface: 199.701  Negative charged surface: 187.356  Volume: 171.625
  Hydrophobic surface: 240.942  Hydrophilic surface: 146.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.