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CHEMDIV-ZINC05151307

 MMsINC code: MMs00993067
Type: Neutral
Formula: C18H19N3O3S2
SMILES:   s1c2cc(S(=O)(=O)NCC(=O)NCc3ccc(cc3)C)ccc2nc1C
InChI:   InChI=1/C18H19N3O3S2/c1-12-3-5-14(6-4-12)10-19-18(22)11-20-26(23,24)15-7-8-16-17(9-15)25-13(2)21-16/h3-9,20H,10-11H2,1-2H3,(H,19,22)

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Potential Energy
Epot(MMFF94)=39.628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.5 g/mol  logS: -4.31465  SlogP: 2.77424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0509448  Sterimol/B1: 3.61544  Sterimol/B2: 3.74972  Sterimol/B3: 4.05486
  Sterimol/B4: 8.57181  Sterimol/L: 18.1722 
 
 Surface and Volume Properties
  Accessible surface: 664.851  Positive charged surface: 360.621  Negative charged surface: 304.23  Volume: 346.625
  Hydrophobic surface: 502.001  Hydrophilic surface: 162.85
 
 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.