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ENAMINE-ZINC00137064

 MMsINC code: MMs01225155
Type: Neutral
Formula: C15H19NO5S
SMILES:   s1c(C(OCC)=O)c(C)c(C(OCC)=O)c1NC(=O)C1CC1
InChI:   InChI=1/C15H19NO5S/c1-4-20-14(18)10-8(3)11(15(19)21-5-2)22-13(10)16-12(17)9-6-7-9/h9H,4-7H2,1-3H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=70.1352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.385 g/mol  logS: -3.59211  SlogP: 2.75842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0579813  Sterimol/B1: 2.10936  Sterimol/B2: 2.16941  Sterimol/B3: 4.83493
  Sterimol/B4: 10.5467  Sterimol/L: 15.1569 
 
 Surface and Volume Properties
  Accessible surface: 606.326  Positive charged surface: 381.585  Negative charged surface: 224.741  Volume: 299.25
  Hydrophobic surface: 420.977  Hydrophilic surface: 185.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.