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ENAMINE-ZINC06590090

 MMsINC code: MMs01681207
Type: Neutral
Formula: C18H21N3O4S
SMILES:   S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)NCc1ccc(NC(=O)C)cc1
InChI:   InChI=1/C18H21N3O4S/c1-13(22)20-16-8-4-14(5-9-16)12-19-18(23)15-6-10-17(11-7-15)26(24,25)21(2)3/h4-11H,12H2,1-3H3,(H,19,23)(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.8318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.449 g/mol  logS: -3.42192  SlogP: 2.0917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0424199  Sterimol/B1: 2.86081  Sterimol/B2: 3.53853  Sterimol/B3: 4.14851
  Sterimol/B4: 7.23065  Sterimol/L: 19.6864 
 
 Surface and Volume Properties
  Accessible surface: 649.182  Positive charged surface: 409.427  Negative charged surface: 239.755  Volume: 343.375
  Hydrophobic surface: 494.024  Hydrophilic surface: 155.158
 
 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.