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PUBCHEM-ZINC06627720

 MMsINC code: MMs03829406
Type: Neutral
Formula: C19H16ClNO3S
SMILES:   Clc1cc2c(NC(=O)C(SCCC(OC)=O)=C2c2ccccc2)cc1
InChI:   InChI=1/C19H16ClNO3S/c1-24-16(22)9-10-25-18-17(12-5-3-2-4-6-12)14-11-13(20)7-8-15(14)21-19(18)23/h2-8,11H,9-10H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=74.448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.86 g/mol  logS: -6.07449  SlogP: 4.16509  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0899992  Sterimol/B1: 2.73626  Sterimol/B2: 4.75649  Sterimol/B3: 4.80932
  Sterimol/B4: 7.41381  Sterimol/L: 17.7078 
 
 Surface and Volume Properties
  Accessible surface: 609.772  Positive charged surface: 348.891  Negative charged surface: 260.881  Volume: 332.25
  Hydrophobic surface: 489.417  Hydrophilic surface: 120.355
 
 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.