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NANOSIN-ZINC01507487

 MMsINC code: MMs02195469
Type: Neutral
Formula: C15H16N2O4S
SMILES:   S(=O)(=O)(Nc1ccc(NC(OC)=O)cc1)c1ccc(cc1)C
InChI:   InChI=1/C15H16N2O4S/c1-11-3-9-14(10-4-11)22(19,20)17-13-7-5-12(6-8-13)16-15(18)21-2/h3-10,17H,1-2H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=42.6516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.369 g/mol  logS: -3.79955  SlogP: 2.97412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.098359  Sterimol/B1: 2.15076  Sterimol/B2: 3.74942  Sterimol/B3: 3.96187
  Sterimol/B4: 8.2832  Sterimol/L: 15.5612 
 
 Surface and Volume Properties
  Accessible surface: 545.77  Positive charged surface: 335.395  Negative charged surface: 210.375  Volume: 286.875
  Hydrophobic surface: 403.428  Hydrophilic surface: 142.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.