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ENAMINE-ZINC03392817

 MMsINC code: MMs01414776
Type: Neutral
Formula: C19H26N2O4S2
SMILES:   s1cccc1S(=O)(=O)N(CC(=O)N(C(C)C)C(C)C)c1ccccc1OC
InChI:   InChI=1/C19H26N2O4S2/c1-14(2)21(15(3)4)18(22)13-20(16-9-6-7-10-17(16)25-5)27(23,24)19-11-8-12-26-19/h6-12,14-15H,13H2,1-5H3

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Potential Energy
Epot(MMFF94)=140.217 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.559 g/mol  logS: -4.51311  SlogP: 3.5974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.336907  Sterimol/B1: 4.18292  Sterimol/B2: 4.82798  Sterimol/B3: 5.68586
  Sterimol/B4: 7.84256  Sterimol/L: 11.7524 
 
 Surface and Volume Properties
  Accessible surface: 595.711  Positive charged surface: 350.73  Negative charged surface: 244.98  Volume: 380.125
  Hydrophobic surface: 469.758  Hydrophilic surface: 125.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.