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ENAMINE-ZINC03226965

 MMsINC code: MMs01316707
Type: Neutral
Formula: C12H11NO3S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccc(cc1)C(=O)C
InChI:   InChI=1/C12H11NO3S2/c1-9(14)10-4-6-11(7-5-10)13-18(15,16)12-3-2-8-17-12/h2-8,13H,1H3

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Potential Energy
Epot(MMFF94)=49.7016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.356 g/mol  logS: -3.324  SlogP: 2.7515  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187674  Sterimol/B1: 3.41493  Sterimol/B2: 3.79466  Sterimol/B3: 4.67268
  Sterimol/B4: 5.3022  Sterimol/L: 13.0332 
 
 Surface and Volume Properties
  Accessible surface: 463.303  Positive charged surface: 210.72  Negative charged surface: 252.583  Volume: 236.5
  Hydrophobic surface: 337.107  Hydrophilic surface: 126.196
 
 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.