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ASINEX-ZINC02031711

 MMsINC code: MMs00261053
Type: Neutral
Formula: C11H14N2O5S
SMILES:   S(=O)(=O)(NC(CC(=O)N)C(O)=O)c1ccc(cc1)C
InChI:   InChI=1/C11H14N2O5S/c1-7-2-4-8(5-3-7)19(17,18)13-9(11(15)16)6-10(12)14/h2-5,9,13H,6H2,1H3,(H2,12,14)(H,15,16)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=15.8931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.308 g/mol  logS: -1.8531  SlogP: -0.39808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19967  Sterimol/B1: 2.83552  Sterimol/B2: 4.87256  Sterimol/B3: 5.16779
  Sterimol/B4: 5.35528  Sterimol/L: 12.866 
 
 Surface and Volume Properties
  Accessible surface: 469.768  Positive charged surface: 278.347  Negative charged surface: 191.421  Volume: 237.875
  Hydrophobic surface: 230.55  Hydrophilic surface: 239.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00261054
ASINEX-ZINC02031711