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CHEMDIV-ZINC06859535

 MMsINC code: MMs01048035
Type: Neutral
Formula: C15H16N2O3S2
SMILES:   s1cc(S(=O)(=O)NC2CCCc3c2cccc3)cc1C(=O)N
InChI:   InChI=1/C15H16N2O3S2/c16-15(18)14-8-11(9-21-14)22(19,20)17-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,8-9,13,17H,3,5,7H2,(H2,16,18)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.2133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.436 g/mol  logS: -3.95041  SlogP: 2.29837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11894  Sterimol/B1: 2.52802  Sterimol/B2: 4.10205  Sterimol/B3: 4.29053
  Sterimol/B4: 8.37844  Sterimol/L: 14.0389 
 
 Surface and Volume Properties
  Accessible surface: 529.598  Positive charged surface: 271.468  Negative charged surface: 258.13  Volume: 289.625
  Hydrophobic surface: 346.894  Hydrophilic surface: 182.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.