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NCID-ZINC01672854

 MMsINC code: MMs02308925
Type: Neutral
Formula: C14H13ClO3S
SMILES:   Clc1ccc(OS(=O)(=O)c2ccc(cc2)C)cc1C
InChI:   InChI=1/C14H13ClO3S/c1-10-3-6-13(7-4-10)19(16,17)18-12-5-8-14(15)11(2)9-12/h3-9H,1-2H3

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Potential Energy
Epot(MMFF94)=68.5637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.774 g/mol  logS: -4.85089  SlogP: 3.72454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0943659  Sterimol/B1: 2.93214  Sterimol/B2: 3.36111  Sterimol/B3: 3.46607
  Sterimol/B4: 7.08819  Sterimol/L: 13.0544 
 
 Surface and Volume Properties
  Accessible surface: 477.778  Positive charged surface: 216.195  Negative charged surface: 261.582  Volume: 257.875
  Hydrophobic surface: 407.134  Hydrophilic surface: 70.644
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.