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CHEMDIV-ZINC05151276

 MMsINC code: MMs00993058
Type: Neutral
Formula: C18H19N3O3S2
SMILES:   s1c2cc(S(=O)(=O)NCC(=O)N(Cc3ccccc3)C)ccc2nc1C
InChI:   InChI=1/C18H19N3O3S2/c1-13-20-16-9-8-15(10-17(16)25-13)26(23,24)19-11-18(22)21(2)12-14-6-4-3-5-7-14/h3-10,19H,11-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=47.6771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.5 g/mol  logS: -3.73474  SlogP: 2.80802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141579  Sterimol/B1: 2.1212  Sterimol/B2: 4.32663  Sterimol/B3: 5.05256
  Sterimol/B4: 9.0563  Sterimol/L: 16.1057 
 
 Surface and Volume Properties
  Accessible surface: 639.64  Positive charged surface: 358.549  Negative charged surface: 281.091  Volume: 347.5
  Hydrophobic surface: 498.315  Hydrophilic surface: 141.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.