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PUBCHEM-ZINC01131009

 MMsINC code: MMs02776237
Type: Neutral
Formula: C19H24N2O3S
SMILES:   S(=O)(=O)(N(CC)CC)c1ccc(NC(=O)c2cc(C)c(cc2)C)cc1
InChI:   InChI=1/C19H24N2O3S/c1-5-21(6-2)25(23,24)18-11-9-17(10-12-18)20-19(22)16-8-7-14(3)15(4)13-16/h7-13H,5-6H2,1-4H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.1596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.478 g/mol  logS: -4.87069  SlogP: 3.58624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0376497  Sterimol/B1: 2.49609  Sterimol/B2: 2.71531  Sterimol/B3: 5.04393
  Sterimol/B4: 6.16749  Sterimol/L: 18.9257 
 
 Surface and Volume Properties
  Accessible surface: 623.175  Positive charged surface: 371.598  Negative charged surface: 251.577  Volume: 350.125
  Hydrophobic surface: 493.339  Hydrophilic surface: 129.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.