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ASINEX-ZINC04997976

 MMsINC code: MMs00427258
Type: Neutral
Formula: C19H24N2O3S2
SMILES:   s1cccc1S(=O)(=O)N(C)c1ccc(cc1)C(=O)NC1CCCCCC1
InChI:   InChI=1/C19H24N2O3S2/c1-21(26(23,24)18-9-6-14-25-18)17-12-10-15(11-13-17)19(22)20-16-7-4-2-3-5-8-16/h6,9-14,16H,2-5,7-8H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=98.9879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.544 g/mol  logS: -5.2198  SlogP: 4.0258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0401226  Sterimol/B1: 2.47565  Sterimol/B2: 2.67037  Sterimol/B3: 4.77292
  Sterimol/B4: 7.9564  Sterimol/L: 17.9538 
 
 Surface and Volume Properties
  Accessible surface: 629.073  Positive charged surface: 362.292  Negative charged surface: 266.78  Volume: 359.125
  Hydrophobic surface: 538.68  Hydrophilic surface: 90.393
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.