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NANOSIN-ZINC01506205

 MMsINC code: MMs02195077
Type: Neutral
Formula: C11H9NO2S
SMILES:   S1(=O)(=O)N(c2c3c(ccc2)cccc13)C
InChI:   InChI=1/C11H9NO2S/c1-12-9-6-2-4-8-5-3-7-10(11(8)9)15(12,13)14/h2-7H,1H3

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Potential Energy
Epot(MMFF94)=54.579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.264 g/mol  logS: -3.35468  SlogP: 1.9783  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0367838  Sterimol/B1: 3.05619  Sterimol/B2: 3.07631  Sterimol/B3: 4.39815
  Sterimol/B4: 5.42357  Sterimol/L: 10.7063 
 
 Surface and Volume Properties
  Accessible surface: 385.724  Positive charged surface: 197.965  Negative charged surface: 177.137  Volume: 189.875
  Hydrophobic surface: 313.417  Hydrophilic surface: 72.307
 
 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.