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PUBCHEM-ZINC00079276

 MMsINC code: MMs02631883
Type: Neutral
Formula: C11H12N2O3S2
SMILES:   S\1c2cc(S(=O)(=O)C)ccc2N(C)/C/1=N\C(=O)C
InChI:   InChI=1/C11H12N2O3S2/c1-7(14)12-11-13(2)9-5-4-8(18(3,15)16)6-10(9)17-11/h4-6H,1-3H3/b12-11+

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Potential Energy
Epot(MMFF94)=75.4263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.36 g/mol  logS: -2.7416  SlogP: 1.5345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683891  Sterimol/B1: 2.21206  Sterimol/B2: 3.93683  Sterimol/B3: 4.10593
  Sterimol/B4: 4.33529  Sterimol/L: 14.3886 
 
 Surface and Volume Properties
  Accessible surface: 459.667  Positive charged surface: 221.498  Negative charged surface: 238.169  Volume: 235.625
  Hydrophobic surface: 284.054  Hydrophilic surface: 175.613
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.