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ENAMINE-ZINC03340273

 MMsINC code: MMs01382705
Type: Neutral
Formula: C24H26ClNO2S
SMILES:   Clc1cc(S(=O)(=O)N(Cc2ccc(cc2)C(C)(C)C)Cc2ccccc2)ccc1
InChI:   InChI=1/C24H26ClNO2S/c1-24(2,3)21-14-12-20(13-15-21)18-26(17-19-8-5-4-6-9-19)29(27,28)23-11-7-10-22(25)16-23/h4-16H,17-18H2,1-3H3

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Potential Energy
Epot(MMFF94)=81.993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 427.996 g/mol  logS: -7.58811  SlogP: 6.5614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10512  Sterimol/B1: 3.39471  Sterimol/B2: 3.5177  Sterimol/B3: 4.77145
  Sterimol/B4: 7.84879  Sterimol/L: 16.5519 
 
 Surface and Volume Properties
  Accessible surface: 634.982  Positive charged surface: 328.343  Negative charged surface: 306.64  Volume: 410.25
  Hydrophobic surface: 526.76  Hydrophilic surface: 108.222
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.