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MAYBRIDGE-ZINC04324749

 MMsINC code: MMs02166863
Type: Neutral
Formula: C10H13NO6S3
SMILES:   s1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1C(OC)=O
InChI:   InChI=1/C10H13NO6S3/c1-17-10(12)9-8(2-4-18-9)20(15,16)11-7-3-5-19(13,14)6-7/h2,4,7,11H,3,5-6H2,1H3/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=18.973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.413 g/mol  logS: -1.87304  SlogP: 0.0001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238785  Sterimol/B1: 2.16996  Sterimol/B2: 4.02741  Sterimol/B3: 4.93856
  Sterimol/B4: 8.09286  Sterimol/L: 12.364 
 
 Surface and Volume Properties
  Accessible surface: 489.413  Positive charged surface: 246.442  Negative charged surface: 242.971  Volume: 258.25
  Hydrophobic surface: 323.19  Hydrophilic surface: 166.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.