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ENAMINE-ZINC03458457

MMsINC code: MMs01455594

Type: Neutral
Formula: C16H15ClN2O4S
SMILES:   Clc1ccccc1NC(=O)COC(=O)CNC(=O)c1sc(cc1)C
InChI:   InChI=1/C16H15ClN2O4S/c1-10-6-7-13(24-10)16(22)18-8-15(21)23-9-14(20)19-12-5-3-2-4-11(12)17/h2-7H,8-9H2,1H3,(H,18,22)(H,19,20)

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Potential Energy
Epot(MMFF94)=74.1992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.825 g/mol  logS: -4.78996  SlogP: 2.62162  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00811347  Sterimol/B1: 2.45537  Sterimol/B2: 3.14285  Sterimol/B3: 3.21964
  Sterimol/B4: 6.02613  Sterimol/L: 21.3461 
 
 Surface and Volume Properties
  Accessible surface: 628.341  Positive charged surface: 317.472  Negative charged surface: 310.869  Volume: 315.125
  Hydrophobic surface: 496.043  Hydrophilic surface: 132.298
 
 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.