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NCID-ZINC04946086

 MMsINC code: MMs02417772
Type: Neutral
Formula: C12H19NO7
SMILES:   O1CC(NC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC
InChI:   InChI=1/C12H19NO7/c1-6(14)13-9-5-18-12(17-4)11(20-8(3)16)10(9)19-7(2)15/h9-12H,5H2,1-4H3,(H,13,14)/t9-,10-,11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=47.7567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.284 g/mol  logS: -0.91638  SlogP: -0.6428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190336  Sterimol/B1: 3.24858  Sterimol/B2: 4.55189  Sterimol/B3: 5.20111
  Sterimol/B4: 5.72513  Sterimol/L: 13.9872 
 
 Surface and Volume Properties
  Accessible surface: 525.787  Positive charged surface: 373.207  Negative charged surface: 152.58  Volume: 262.375
  Hydrophobic surface: 419.999  Hydrophilic surface: 105.788
 
 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.