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ASINEX-ZINC04141533

 MMsINC code: MMs00310286
Type: Neutral
Formula: C11H13NO5S
SMILES:   s1c(C(OC)=O)c(C)c(C(OC)=O)c1NC(=O)C
InChI:   InChI=1/C11H13NO5S/c1-5-7(10(14)16-3)9(12-6(2)13)18-8(5)11(15)17-4/h1-4H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=64.5625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.293 g/mol  logS: -2.63619  SlogP: 1.58812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0351069  Sterimol/B1: 2.9351  Sterimol/B2: 3.11359  Sterimol/B3: 3.23471
  Sterimol/B4: 8.20259  Sterimol/L: 12.8104 
 
 Surface and Volume Properties
  Accessible surface: 491.121  Positive charged surface: 325.269  Negative charged surface: 165.852  Volume: 234.375
  Hydrophobic surface: 380.194  Hydrophilic surface: 110.927
 
 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.