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PUBCHEM-ZINC01064274

MMsINC code: MMs02763111

Type: Neutral
Formula: C15H16ClNO2S
SMILES:   Clc1ccc(cc1)CS(=O)(=O)Nc1cc(cc(c1)C)C
InChI:   InChI=1/C15H16ClNO2S/c1-11-7-12(2)9-15(8-11)17-20(18,19)10-13-3-5-14(16)6-4-13/h3-9,17H,10H2,1-2H3

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Potential Energy
Epot(MMFF94)=47.5867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.817 g/mol  logS: -4.67289  SlogP: 4.16514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148785  Sterimol/B1: 2.06132  Sterimol/B2: 3.80133  Sterimol/B3: 4.76922
  Sterimol/B4: 6.97798  Sterimol/L: 15.2315 
 
 Surface and Volume Properties
  Accessible surface: 535.838  Positive charged surface: 272.504  Negative charged surface: 263.334  Volume: 279.25
  Hydrophobic surface: 459.324  Hydrophilic surface: 76.514
 
 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.