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ENAMINE-ZINC03440892

 MMsINC code: MMs01444023
Type: Neutral
Formula: C17H23NOS
SMILES:   S(CC(=O)NC1CCCc2c1cccc2)C1CCCC1
InChI:   InChI=1/C17H23NOS/c19-17(12-20-14-8-2-3-9-14)18-16-11-5-7-13-6-1-4-10-15(13)16/h1,4,6,10,14,16H,2-3,5,7-9,11-12H2,(H,18,19)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.3808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.443 g/mol  logS: -4.37967  SlogP: 3.95147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0463847  Sterimol/B1: 2.51436  Sterimol/B2: 3.32661  Sterimol/B3: 3.4241
  Sterimol/B4: 7.54498  Sterimol/L: 16.5157 
 
 Surface and Volume Properties
  Accessible surface: 551.435  Positive charged surface: 381.026  Negative charged surface: 170.409  Volume: 294.875
  Hydrophobic surface: 489.853  Hydrophilic surface: 61.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.