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CHEMDIV-ZINC00216867

MMsINC code: MMs00842036

Type: Neutral
Formula: C16H20N2O2S
SMILES:   S1CC(=O)Nc2cc(ccc12)C(=O)NC1CCCCCC1
InChI:   InChI=1/C16H20N2O2S/c19-15-10-21-14-8-7-11(9-13(14)18-15)16(20)17-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,17,20)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=66.7079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.414 g/mol  logS: -4.8897  SlogP: 3.1834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431161  Sterimol/B1: 2.90124  Sterimol/B2: 3.2028  Sterimol/B3: 3.53675
  Sterimol/B4: 5.49185  Sterimol/L: 17.0547 
 
 Surface and Volume Properties
  Accessible surface: 529.511  Positive charged surface: 339.291  Negative charged surface: 190.22  Volume: 286.5
  Hydrophobic surface: 386.013  Hydrophilic surface: 143.498
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.