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CHEMDIV-ZINC06808373

 MMsINC code: MMs01035887
Type: Neutral
Formula: C18H12ClNO3S2
SMILES:   Clc1cc(NC(=O)c2sc-3c(c2)CS(=O)(=O)c2c-3cccc2)ccc1
InChI:   InChI=1/C18H12ClNO3S2/c19-12-4-3-5-13(9-12)20-18(21)15-8-11-10-25(22,23)16-7-2-1-6-14(16)17(11)24-15/h1-9H,10H2,(H,20,21)

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Potential Energy
Epot(MMFF94)=77.9795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.883 g/mol  logS: -6.5541  SlogP: 4.8745  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0183718  Sterimol/B1: 2.5557  Sterimol/B2: 3.35029  Sterimol/B3: 3.43561
  Sterimol/B4: 7.32674  Sterimol/L: 17.7101 
 
 Surface and Volume Properties
  Accessible surface: 584.849  Positive charged surface: 238.594  Negative charged surface: 346.254  Volume: 320.625
  Hydrophobic surface: 477.346  Hydrophilic surface: 107.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.