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NCID-ZINC01868306

 MMsINC code: MMs02375558
Type: Neutral
Formula: C16H18ClNO2S
SMILES:   Clc1ccc(cc1)CCc1ccc(S(=O)(=O)N(C)C)cc1
InChI:   InChI=1/C16H18ClNO2S/c1-18(2)21(19,20)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h5-12H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=42.6196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.844 g/mol  logS: -4.52403  SlogP: 3.37544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0377463  Sterimol/B1: 2.35144  Sterimol/B2: 2.55901  Sterimol/B3: 4.43805
  Sterimol/B4: 4.88728  Sterimol/L: 18.2547 
 
 Surface and Volume Properties
  Accessible surface: 563.842  Positive charged surface: 315.245  Negative charged surface: 248.597  Volume: 301.25
  Hydrophobic surface: 507.347  Hydrophilic surface: 56.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.