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CHEMDIV-ZINC06808620

 MMsINC code: MMs01036150
Type: Neutral
Formula: C18H19N3O3S2
SMILES:   s1c2cc(S(=O)(=O)NCC(=O)Nc3cc(cc(c3)C)C)ccc2nc1C
InChI:   InChI=1/C18H19N3O3S2/c1-11-6-12(2)8-14(7-11)21-18(22)10-19-26(23,24)15-4-5-16-17(9-15)25-13(3)20-16/h4-9,19H,10H2,1-3H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=58.9133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.5 g/mol  logS: -4.84453  SlogP: 3.13856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0796774  Sterimol/B1: 2.13973  Sterimol/B2: 4.15078  Sterimol/B3: 6.32282
  Sterimol/B4: 7.12613  Sterimol/L: 18.7517 
 
 Surface and Volume Properties
  Accessible surface: 650.99  Positive charged surface: 358.727  Negative charged surface: 292.263  Volume: 345.875
  Hydrophobic surface: 500.026  Hydrophilic surface: 150.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.