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CHEMBRIDGE-ZINC00724559

 MMsINC code: MMs00642297
Type: Neutral
Formula: C16H15ClN2O3S
SMILES:   Clc1ccccc1C(=O)NC(=S)Nc1cc(OC)c(OC)cc1
InChI:   InChI=1/C16H15ClN2O3S/c1-21-13-8-7-10(9-14(13)22-2)18-16(23)19-15(20)11-5-3-4-6-12(11)17/h3-9H,1-2H3,(H2,18,19,20,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.826 g/mol  logS: -5.65341  SlogP: 3.484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239299  Sterimol/B1: 2.37985  Sterimol/B2: 2.57512  Sterimol/B3: 3.90053
  Sterimol/B4: 7.43958  Sterimol/L: 18.0166 
 
 Surface and Volume Properties
  Accessible surface: 579.549  Positive charged surface: 352.017  Negative charged surface: 227.532  Volume: 307.125
  Hydrophobic surface: 462.286  Hydrophilic surface: 117.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.