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ASINEX-ZINC01760363

 MMsINC code: MMs00256445
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-/m0/s1

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Potential Energy
Epot(MMFF94)=16.4214 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: 0.0931023  Sterimol/B1: 3.38406  Sterimol/B2: 3.39581  Sterimol/B3: 3.94045
  Sterimol/B4: 5.61279  Sterimol/L: 14.633 
 
 Surface and Volume Properties
  Accessible surface: 470.794  Positive charged surface: 275.852  Negative charged surface: 194.943  Volume: 240
  Hydrophobic surface: 232.61  Hydrophilic surface: 238.184
 
 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


MMs00256446
ASINEX-ZINC01760363