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CHEMDIV-ZINC03894732

 MMsINC code: MMs00917386
Type: Neutral
Formula: C16H20N2O3S2
SMILES:   s1cccc1S(=O)(=O)NCCCC(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C16H20N2O3S2/c1-13-6-8-14(9-7-13)12-17-15(19)4-2-10-18-23(20,21)16-5-3-11-22-16/h3,5-9,11,18H,2,4,10,12H2,1H3,(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.2693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.479 g/mol  logS: -3.68595  SlogP: 2.69782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391744  Sterimol/B1: 3.45097  Sterimol/B2: 3.85109  Sterimol/B3: 4.25339
  Sterimol/B4: 5.61572  Sterimol/L: 19.4653 
 
 Surface and Volume Properties
  Accessible surface: 634.376  Positive charged surface: 349.9  Negative charged surface: 284.476  Volume: 320.625
  Hydrophobic surface: 494.714  Hydrophilic surface: 139.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.