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PUBCHEM-ZINC01188371

 MMsINC code: MMs02785110
Type: Neutral
Formula: C18H13ClN2O2S
SMILES:   Clc1cc(NC(=O)c2ccc(NC(=O)c3sccc3)cc2)ccc1
InChI:   InChI=1/C18H13ClN2O2S/c19-13-3-1-4-15(11-13)21-17(22)12-6-8-14(9-7-12)20-18(23)16-5-2-10-24-16/h1-11H,(H,20,23)(H,21,22)

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Potential Energy
Epot(MMFF94)=86.5519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.833 g/mol  logS: -5.86582  SlogP: 4.9061  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00715005  Sterimol/B1: 2.59197  Sterimol/B2: 2.70337  Sterimol/B3: 2.86579
  Sterimol/B4: 5.9441  Sterimol/L: 20.05 
 
 Surface and Volume Properties
  Accessible surface: 591.185  Positive charged surface: 254.526  Negative charged surface: 336.658  Volume: 313.625
  Hydrophobic surface: 513.532  Hydrophilic surface: 77.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.