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MAYBRIDGE-ZINC01026195

 MMsINC code: MMs02148455
Type: Neutral
Formula: C14H10Cl3NO3S
SMILES:   ClC(Cl)(Cl)C(=O)Nc1cc(sc1C(OC)=O)-c1ccccc1
InChI:   InChI=1/C14H10Cl3NO3S/c1-21-12(19)11-9(18-13(20)14(15,16)17)7-10(22-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=89.9931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.663 g/mol  logS: -6.57831  SlogP: 4.9303  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0159853  Sterimol/B1: 2.57447  Sterimol/B2: 3.4786  Sterimol/B3: 3.5434
  Sterimol/B4: 10.7159  Sterimol/L: 14.1059 
 
 Surface and Volume Properties
  Accessible surface: 568.974  Positive charged surface: 214.024  Negative charged surface: 354.949  Volume: 298.5
  Hydrophobic surface: 340.022  Hydrophilic surface: 228.952
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.