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PUBCHEM-ZINC06522767

 MMsINC code: MMs03781040
Type: Neutral
Formula: C20H26ClNOS
SMILES:   ClC(C(S(=O)(=Nc1ccccc1)c1ccc(cc1)C)C(C)C)(C)C
InChI:   InChI=1/C20H26ClNOS/c1-15(2)19(20(4,5)21)24(23,18-13-11-16(3)12-14-18)22-17-9-7-6-8-10-17/h6-15,19H,1-5H3/t19-,24-/m1/s1

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Potential Energy
Epot(MMFF94)=182.687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.953 g/mol  logS: -5.71458  SlogP: 6.72062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234804  Sterimol/B1: 2.70136  Sterimol/B2: 3.73017  Sterimol/B3: 4.91224
  Sterimol/B4: 7.53591  Sterimol/L: 15.3469 
 
 Surface and Volume Properties
  Accessible surface: 562.76  Positive charged surface: 312.233  Negative charged surface: 250.527  Volume: 349.375
  Hydrophobic surface: 448.704  Hydrophilic surface: 114.056
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.