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CHEMDIV-ZINC06766552

 MMsINC code: MMs01016754
Type: Neutral
Formula: C15H14N2O3S
SMILES:   S(=O)(=O)(N1CCc2cc(ccc12)C(=O)N)c1ccccc1
InChI:   InChI=1/C15H14N2O3S/c16-15(18)12-6-7-14-11(10-12)8-9-17(14)21(19,20)13-4-2-1-3-5-13/h1-7,10H,8-9H2,(H2,16,18)

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Potential Energy
Epot(MMFF94)=61.2992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.354 g/mol  logS: -3.55829  SlogP: 1.53687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104045  Sterimol/B1: 2.15815  Sterimol/B2: 3.15041  Sterimol/B3: 5.4839
  Sterimol/B4: 6.7925  Sterimol/L: 14.1903 
 
 Surface and Volume Properties
  Accessible surface: 496.888  Positive charged surface: 270.141  Negative charged surface: 226.747  Volume: 265.75
  Hydrophobic surface: 339.399  Hydrophilic surface: 157.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.