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CHEMDIV-ZINC06818419

 MMsINC code: MMs01041931
Type: Neutral
Formula: C15H20N4O3S2
SMILES:   s1c(nnc1S(=O)(=O)N(Cc1ccccc1)C)NC(=O)CC(C)C
InChI:   InChI=1/C15H20N4O3S2/c1-11(2)9-13(20)16-14-17-18-15(23-14)24(21,22)19(3)10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,16,17,20)

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Potential Energy
Epot(MMFF94)=56.8142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.482 g/mol  logS: -5.04795  SlogP: 2.6098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965039  Sterimol/B1: 3.68874  Sterimol/B2: 4.02512  Sterimol/B3: 4.79596
  Sterimol/B4: 6.05711  Sterimol/L: 15.6764 
 
 Surface and Volume Properties
  Accessible surface: 590.31  Positive charged surface: 358.877  Negative charged surface: 231.433  Volume: 327.625
  Hydrophobic surface: 413.694  Hydrophilic surface: 176.616
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.