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CHEMSTAR-ZINC00202270

 MMsINC code: MMs01073712
Type: Neutral
Formula: C12H14N2O5S2
SMILES:   S(=O)(=O)(NC)c1cc(O)c2c(c1)cc(S(=O)(=O)NC)cc2
InChI:   InChI=1/C12H14N2O5S2/c1-13-20(16,17)9-3-4-11-8(5-9)6-10(7-12(11)15)21(18,19)14-2/h3-7,13-15H,1-2H3

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Potential Energy
Epot(MMFF94)=6.09155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.385 g/mol  logS: -2.57677  SlogP: 0.3616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100123  Sterimol/B1: 2.20597  Sterimol/B2: 2.59416  Sterimol/B3: 5.00341
  Sterimol/B4: 7.47721  Sterimol/L: 13.7101 
 
 Surface and Volume Properties
  Accessible surface: 511.13  Positive charged surface: 303.938  Negative charged surface: 196.883  Volume: 264.25
  Hydrophobic surface: 286.216  Hydrophilic surface: 224.914
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.