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CHEMDIV-ZINC02492001

 MMsINC code: MMs00881312
Type: Neutral
Formula: C14H15NO2S
SMILES:   S1(=O)(=O)N(c2c3c(ccc2)cccc13)CCCC
InChI:   InChI=1/C14H15NO2S/c1-2-3-10-15-12-8-4-6-11-7-5-9-13(14(11)12)18(15,16)17/h4-9H,2-3,10H2,1H3

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Potential Energy
Epot(MMFF94)=52.7397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.345 g/mol  logS: -4.39888  SlogP: 3.1486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0705367  Sterimol/B1: 2.13582  Sterimol/B2: 4.59908  Sterimol/B3: 4.67816
  Sterimol/B4: 5.03049  Sterimol/L: 14.2178 
 
 Surface and Volume Properties
  Accessible surface: 462.462  Positive charged surface: 255.725  Negative charged surface: 196.719  Volume: 241.625
  Hydrophobic surface: 372.26  Hydrophilic surface: 90.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.