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ASINEX-ZINC00147855

 MMsINC code: MMs00082529
Type: Neutral
Formula: C11H14N2O5S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)CCCC(O)=O)cc1
InChI:   InChI=1/C11H14N2O5S/c12-19(17,18)9-6-4-8(5-7-9)13-10(14)2-1-3-11(15)16/h4-7H,1-3H2,(H,13,14)(H,15,16)(H2,12,17,18)

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Potential Energy
Epot(MMFF94)=11.0777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.308 g/mol  logS: -1.77503  SlogP: 0.5274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.026691  Sterimol/B1: 2.75517  Sterimol/B2: 3.3612  Sterimol/B3: 3.52214
  Sterimol/B4: 4.75476  Sterimol/L: 17.6467 
 
 Surface and Volume Properties
  Accessible surface: 505.634  Positive charged surface: 294.494  Negative charged surface: 211.14  Volume: 240.25
  Hydrophobic surface: 233.525  Hydrophilic surface: 272.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00082530
ASINEX-ZINC00147855