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PUBCHEM-ZINC02826439

 MMsINC code: MMs02932889
Type: Neutral
Formula: C19H19NO2S
SMILES:   S(=O)(=O)(NCCCc1ccccc1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C19H19NO2S/c21-23(22,20-14-6-9-16-7-2-1-3-8-16)19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-13,15,20H,6,9,14H2

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Potential Energy
Epot(MMFF94)=36.8252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.432 g/mol  logS: -5.13188  SlogP: 3.75087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.084599  Sterimol/B1: 3.28808  Sterimol/B2: 3.74026  Sterimol/B3: 4.44292
  Sterimol/B4: 6.64752  Sterimol/L: 17.4446 
 
 Surface and Volume Properties
  Accessible surface: 596.39  Positive charged surface: 311.304  Negative charged surface: 272.954  Volume: 313.75
  Hydrophobic surface: 514.369  Hydrophilic surface: 82.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.