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CHEMDIV-ZINC06916832

 MMsINC code: MMs01061574
Type: Neutral
Formula: C12H16N2O5S2
SMILES:   s1ccc(S(=O)(=O)N2CCC(CC2)C(=O)N)c1C(OC)=O
InChI:   InChI=1/C12H16N2O5S2/c1-19-12(16)10-9(4-7-20-10)21(17,18)14-5-2-8(3-6-14)11(13)15/h4,7-8H,2-3,5-6H2,1H3,(H2,13,15)

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Potential Energy
Epot(MMFF94)=26.4267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.401 g/mol  logS: -2.07426  SlogP: 0.4207  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0885181  Sterimol/B1: 3.60211  Sterimol/B2: 3.75233  Sterimol/B3: 3.78576
  Sterimol/B4: 5.37995  Sterimol/L: 16.0251 
 
 Surface and Volume Properties
  Accessible surface: 511.749  Positive charged surface: 313.5  Negative charged surface: 198.249  Volume: 269.125
  Hydrophobic surface: 331.546  Hydrophilic surface: 180.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.