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BACHEM-ZINC00403526

 MMsINC code: MMs00482125
Type: Neutral
Formula: C11H19NO5
SMILES:   OC1CC(N(C1)C(OC(C)(C)C)=O)C(OC)=O
InChI:   InChI=1/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=51.3723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.275 g/mol  logS: -1.27181  SlogP: 0.5297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116599  Sterimol/B1: 2.54479  Sterimol/B2: 3.74015  Sterimol/B3: 4.18436
  Sterimol/B4: 7.06717  Sterimol/L: 12.1969 
 
 Surface and Volume Properties
  Accessible surface: 478.832  Positive charged surface: 363.581  Negative charged surface: 115.251  Volume: 233.125
  Hydrophobic surface: 334.251  Hydrophilic surface: 144.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.