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CHEMDIV-ZINC06818415

 MMsINC code: MMs01041927
Type: Neutral
Formula: C19H20N4O3S2
SMILES:   s1c(nnc1S(=O)(=O)N(Cc1ccccc1)C)NC(=O)CCc1ccccc1
InChI:   InChI=1/C19H20N4O3S2/c1-23(14-16-10-6-3-7-11-16)28(25,26)19-22-21-18(27-19)20-17(24)13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,20,21,24)

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Potential Energy
Epot(MMFF94)=71.6212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.526 g/mol  logS: -5.51967  SlogP: 3.19647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0336893  Sterimol/B1: 2.10293  Sterimol/B2: 3.48557  Sterimol/B3: 4.51214
  Sterimol/B4: 6.16058  Sterimol/L: 23.1195 
 
 Surface and Volume Properties
  Accessible surface: 686.002  Positive charged surface: 379.782  Negative charged surface: 306.22  Volume: 370.75
  Hydrophobic surface: 532.138  Hydrophilic surface: 153.864
 
 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.