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ASINEX-ZINC00249461

 MMsINC code: MMs00099236
Type: Neutral
Formula: C12H13NO3S2
SMILES:   s1cccc1S(=O)(=O)NCc1ccc(OC)cc1
InChI:   InChI=1/C12H13NO3S2/c1-16-11-6-4-10(5-7-11)9-13-18(14,15)12-3-2-8-17-12/h2-8,13H,9H2,1H3

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Potential Energy
Epot(MMFF94)=32.2105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.372 g/mol  logS: -3.00615  SlogP: 2.5016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0558837  Sterimol/B1: 3.69035  Sterimol/B2: 3.88726  Sterimol/B3: 4.08639
  Sterimol/B4: 4.58285  Sterimol/L: 15.8961 
 
 Surface and Volume Properties
  Accessible surface: 499.168  Positive charged surface: 264.885  Negative charged surface: 234.283  Volume: 247
  Hydrophobic surface: 401.613  Hydrophilic surface: 97.555
 
 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.