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NCID-ZINC04994669

 MMsINC code: MMs02425736
Type: Neutral
Formula: C12H19NO7
SMILES:   O1CC(OC(=O)C)C(NC(=O)C)C(OC(=O)C)C1OC
InChI:   InChI=1/C12H19NO7/c1-6(14)13-10-9(19-7(2)15)5-18-12(17-4)11(10)20-8(3)16/h9-12H,5H2,1-4H3,(H,13,14)/t9-,10+,11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=43.6152 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: 0.115238  Sterimol/B1: 2.14954  Sterimol/B2: 3.14208  Sterimol/B3: 4.17626
  Sterimol/B4: 8.9334  Sterimol/L: 13.7242 
 
 Surface and Volume Properties
  Accessible surface: 524.216  Positive charged surface: 359.935  Negative charged surface: 164.281  Volume: 262.375
  Hydrophobic surface: 404.079  Hydrophilic surface: 120.137
 
 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.