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PUBCHEM-ZINC00313647

 MMsINC code: MMs02652686
Type: Neutral
Formula: C14H12N2O2S
SMILES:   S(=O)(=O)(n1cc(nc1)C)c1cc2c(cc1)cccc2
InChI:   InChI=1/C14H12N2O2S/c1-11-9-16(10-15-11)19(17,18)14-7-6-12-4-2-3-5-13(12)8-14/h2-10H,1H3

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Potential Energy
Epot(MMFF94)=64.2599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.328 g/mol  logS: -4.12133  SlogP: 2.58172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108711  Sterimol/B1: 2.55262  Sterimol/B2: 2.55356  Sterimol/B3: 5.48964
  Sterimol/B4: 6.21283  Sterimol/L: 14.219 
 
 Surface and Volume Properties
  Accessible surface: 476.495  Positive charged surface: 243.09  Negative charged surface: 222.334  Volume: 246.75
  Hydrophobic surface: 389.005  Hydrophilic surface: 87.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.