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CHEMDIV-ZINC02923339

 MMsINC code: MMs00891797
Type: Neutral
Formula: C16H16ClNO4S
SMILES:   Clc1cc(NC(=O)CCS(=O)(=O)c2ccccc2)c(OC)cc1
InChI:   InChI=1/C16H16ClNO4S/c1-22-15-8-7-12(17)11-14(15)18-16(19)9-10-23(20,21)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=68.7621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.826 g/mol  logS: -4.18859  SlogP: 3.1511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0429322  Sterimol/B1: 2.57403  Sterimol/B2: 3.68769  Sterimol/B3: 4.18216
  Sterimol/B4: 8.28789  Sterimol/L: 17.208 
 
 Surface and Volume Properties
  Accessible surface: 588.789  Positive charged surface: 314.709  Negative charged surface: 274.08  Volume: 306.375
  Hydrophobic surface: 489.004  Hydrophilic surface: 99.785
 
 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.