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CHEMBRIDGE-ZINC00441543

 MMsINC code: MMs00616208
Type: Neutral
Formula: C15H19NO5S
SMILES:   s1c(C(OC)=O)c(C)c(C(OC)=O)c1NC(=O)C1CCCC1
InChI:   InChI=1/C15H19NO5S/c1-8-10(14(18)20-2)13(22-11(8)15(19)21-3)16-12(17)9-6-4-5-7-9/h9H,4-7H2,1-3H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=75.2704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.385 g/mol  logS: -3.96813  SlogP: 2.75842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433374  Sterimol/B1: 2.8018  Sterimol/B2: 3.7184  Sterimol/B3: 5.24767
  Sterimol/B4: 7.57139  Sterimol/L: 15.0221 
 
 Surface and Volume Properties
  Accessible surface: 579.866  Positive charged surface: 411.785  Negative charged surface: 168.082  Volume: 294.625
  Hydrophobic surface: 487.42  Hydrophilic surface: 92.446
 
 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.