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CHEMBRIDGE-ZINC01173943

 MMsINC code: MMs00679896
Type: Neutral
Formula: C17H17ClN2O3S
SMILES:   Clc1cc(ccc1OCC)C(=O)NC(=S)Nc1cc(OC)ccc1
InChI:   InChI=1/C17H17ClN2O3S/c1-3-23-15-8-7-11(9-14(15)18)16(21)20-17(24)19-12-5-4-6-13(10-12)22-2/h4-10H,3H2,1-2H3,(H2,19,20,21,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.853 g/mol  logS: -5.98062  SlogP: 3.8741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014595  Sterimol/B1: 2.82539  Sterimol/B2: 3.23841  Sterimol/B3: 4.4308
  Sterimol/B4: 4.77457  Sterimol/L: 21.157 
 
 Surface and Volume Properties
  Accessible surface: 624.033  Positive charged surface: 360.322  Negative charged surface: 263.711  Volume: 324.625
  Hydrophobic surface: 477.204  Hydrophilic surface: 146.829
 
 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.