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CHEMDIV-ZINC06859639

 MMsINC code: MMs01048075
Type: Neutral
Formula: C19H20N2O3S2
SMILES:   s1c2cc(S(=O)(=O)CCC(=O)NCCc3ccccc3)ccc2nc1C
InChI:   InChI=1/C19H20N2O3S2/c1-14-21-17-8-7-16(13-18(17)25-14)26(23,24)12-10-19(22)20-11-9-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=50.5362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.512 g/mol  logS: -4.08683  SlogP: 3.12739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397391  Sterimol/B1: 2.35126  Sterimol/B2: 3.87408  Sterimol/B3: 4.03407
  Sterimol/B4: 7.5137  Sterimol/L: 21.8947 
 
 Surface and Volume Properties
  Accessible surface: 670.268  Positive charged surface: 369.306  Negative charged surface: 300.961  Volume: 353.875
  Hydrophobic surface: 541.702  Hydrophilic surface: 128.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.