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IFLAB-ZINC05145461

 MMsINC code: MMs02071623
Type: Neutral
Formula: C15H20N2O6S
SMILES:   s1c(C(OCC)=O)c(C)c(C(=O)NC(OC)=O)c1NC(=O)C(C)C
InChI:   InChI=1/C15H20N2O6S/c1-6-23-14(20)10-8(4)9(12(19)17-15(21)22-5)13(24-10)16-11(18)7(2)3/h7H,6H2,1-5H3,(H,16,18)(H,17,19,21)

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Potential Energy
Epot(MMFF94)=52.6188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.399 g/mol  logS: -3.59547  SlogP: 2.32392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532608  Sterimol/B1: 2.77317  Sterimol/B2: 4.006  Sterimol/B3: 6.61263
  Sterimol/B4: 6.76959  Sterimol/L: 16.7007 
 
 Surface and Volume Properties
  Accessible surface: 626.44  Positive charged surface: 416.496  Negative charged surface: 209.944  Volume: 316.375
  Hydrophobic surface: 424.679  Hydrophilic surface: 201.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.