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CHEMDIV-ZINC05197612

 MMsINC code: MMs00994957
Type: Neutral
Formula: C17H15ClN2O3S
SMILES:   Clc1cc(ccc1OCC)C(=O)Nc1sc2cc(OC)ccc2n1
InChI:   InChI=1/C17H15ClN2O3S/c1-3-23-14-7-4-10(8-12(14)18)16(21)20-17-19-13-6-5-11(22-2)9-15(13)24-17/h4-9H,3H2,1-2H3,(H,19,20,21)

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Potential Energy
Epot(MMFF94)=78.2409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.837 g/mol  logS: -5.80398  SlogP: 4.6093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00386208  Sterimol/B1: 2.37533  Sterimol/B2: 2.3765  Sterimol/B3: 3.3246
  Sterimol/B4: 5.50384  Sterimol/L: 21.5156 
 
 Surface and Volume Properties
  Accessible surface: 610.183  Positive charged surface: 344.774  Negative charged surface: 265.409  Volume: 316.5
  Hydrophobic surface: 506.887  Hydrophilic surface: 103.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.