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CHEMDIV-ZINC05151296

 MMsINC code: MMs00993064
Type: Neutral
Formula: C18H19N3O3S2
SMILES:   s1c2cc(S(=O)(=O)NCC(=O)Nc3ccc(cc3)CC)ccc2nc1C
InChI:   InChI=1/C18H19N3O3S2/c1-3-13-4-6-14(7-5-13)21-18(22)11-19-26(23,24)15-8-9-16-17(10-15)25-12(2)20-16/h4-10,19H,3,11H2,1-2H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=57.8369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.5 g/mol  logS: -4.88583  SlogP: 3.08409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475816  Sterimol/B1: 2.63568  Sterimol/B2: 4.51778  Sterimol/B3: 5.22813
  Sterimol/B4: 6.80441  Sterimol/L: 19.8404 
 
 Surface and Volume Properties
  Accessible surface: 653.834  Positive charged surface: 361.834  Negative charged surface: 292  Volume: 343.375
  Hydrophobic surface: 477.652  Hydrophilic surface: 176.182
 
 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.