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ENAMINE-ZINC02772265

 MMsINC code: MMs01287486
Type: Neutral
Formula: C12H13NO3S2
SMILES:   s1cccc1CNS(=O)(=O)c1ccc(OC)cc1
InChI:   InChI=1/C12H13NO3S2/c1-16-10-4-6-12(7-5-10)18(14,15)13-9-11-3-2-8-17-11/h2-8,13H,9H2,1H3

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Potential Energy
Epot(MMFF94)=19.8219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.372 g/mol  logS: -2.84781  SlogP: 2.5016  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0980966  Sterimol/B1: 2.23354  Sterimol/B2: 3.62981  Sterimol/B3: 4.02843
  Sterimol/B4: 6.90615  Sterimol/L: 15.7069 
 
 Surface and Volume Properties
  Accessible surface: 498.673  Positive charged surface: 261.437  Negative charged surface: 237.236  Volume: 245.125
  Hydrophobic surface: 401.812  Hydrophilic surface: 96.861
 
 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.