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CHEMDIV-ZINC02940649

 MMsINC code: MMs00895311
Type: Neutral
Formula: C16H16ClNO4S
SMILES:   Clc1cc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)ccc1
InChI:   InChI=1/C16H16ClNO4S/c1-22-14-5-7-15(8-6-14)23(20,21)10-9-16(19)18-13-4-2-3-12(17)11-13/h2-8,11H,9-10H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=66.1357 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: 0.0428058  Sterimol/B1: 2.95443  Sterimol/B2: 3.58394  Sterimol/B3: 4.17923
  Sterimol/B4: 6.62982  Sterimol/L: 19.7901 
 
 Surface and Volume Properties
  Accessible surface: 596.93  Positive charged surface: 316.958  Negative charged surface: 279.972  Volume: 305.25
  Hydrophobic surface: 487.505  Hydrophilic surface: 109.425
 
 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.