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NCID-ZINC04887005

 MMsINC code: MMs02412405
Type: Neutral
Formula: C11H19NO5
SMILES:   O1C2C(OC(OC2)(C)C)C(NC(=O)C)C1OC
InChI:   InChI=1/C11H19NO5/c1-6(13)12-8-9-7(16-10(8)14-4)5-15-11(2,3)17-9/h7-10H,5H2,1-4H3,(H,12,13)/t7-,8+,9+,10+/m1/s1

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Potential Energy
Epot(MMFF94)=54.9157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.275 g/mol  logS: -1.22982  SlogP: 0.0139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154203  Sterimol/B1: 2.19699  Sterimol/B2: 3.42706  Sterimol/B3: 3.71404
  Sterimol/B4: 8.29061  Sterimol/L: 11.1727 
 
 Surface and Volume Properties
  Accessible surface: 463.622  Positive charged surface: 357.71  Negative charged surface: 105.911  Volume: 230.875
  Hydrophobic surface: 361.7  Hydrophilic surface: 101.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.