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ASINEX-ZINC06680049

 MMsINC code: MMs00443957
Type: Neutral
Formula: C10H14N2O5S2
SMILES:   s1c(C)c(S(=O)(=O)N(CC(O)=O)C)cc1C(=O)NC
InChI:   InChI=1/C10H14N2O5S2/c1-6-8(4-7(18-6)10(15)11-2)19(16,17)12(3)5-9(13)14/h4H,5H2,1-3H3,(H,11,15)(H,13,14)

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Potential Energy
Epot(MMFF94)=32.5429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.363 g/mol  logS: -1.56047  SlogP: 0.12122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122404  Sterimol/B1: 2.37337  Sterimol/B2: 2.5782  Sterimol/B3: 5.21051
  Sterimol/B4: 7.46064  Sterimol/L: 13.9709 
 
 Surface and Volume Properties
  Accessible surface: 475.901  Positive charged surface: 295.978  Negative charged surface: 179.923  Volume: 249.5
  Hydrophobic surface: 285.654  Hydrophilic surface: 190.247
 
 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


MMs00443958
ASINEX-ZINC06680049