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ASINEX-ZINC00045217

 MMsINC code: MMs00063894
Type: Neutral
Formula: C15H21NO5S
SMILES:   s1c(C(OCC)=O)c(C)c(C(OCC)=O)c1NC(=O)C(C)C
InChI:   InChI=1/C15H21NO5S/c1-6-20-14(18)10-9(5)11(15(19)21-7-2)22-13(10)16-12(17)8(3)4/h8H,6-7H2,1-5H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=64.0365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.401 g/mol  logS: -3.69415  SlogP: 3.00442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0556113  Sterimol/B1: 2.07864  Sterimol/B2: 2.15544  Sterimol/B3: 4.89172
  Sterimol/B4: 10.4957  Sterimol/L: 15.2009 
 
 Surface and Volume Properties
  Accessible surface: 604.068  Positive charged surface: 392.658  Negative charged surface: 211.411  Volume: 304.25
  Hydrophobic surface: 432.199  Hydrophilic surface: 171.869
 
 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.