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ASINEX-ZINC02482082

 MMsINC code: MMs00272820
Type: Neutral
Formula: C10H16N2O6S2
SMILES:   S1(=O)(=O)CC(NC(=O)C(=O)NC2CCS(=O)(=O)C2)CC1
InChI:   InChI=1/C10H16N2O6S2/c13-9(11-7-1-3-19(15,16)5-7)10(14)12-8-2-4-20(17,18)6-8/h7-8H,1-6H2,(H,11,13)(H,12,14)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=41.3533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.378 g/mol  logS: -0.85924  SlogP: -2.407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0568732  Sterimol/B1: 2.56556  Sterimol/B2: 2.70596  Sterimol/B3: 4.19279
  Sterimol/B4: 4.74604  Sterimol/L: 15.5951 
 
 Surface and Volume Properties
  Accessible surface: 522.471  Positive charged surface: 281.341  Negative charged surface: 241.13  Volume: 253.125
  Hydrophobic surface: 278.219  Hydrophilic surface: 244.252
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.