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NCID-ZINC04963273

 MMsINC code: MMs02419935
Type: Neutral
Formula: C13H24N2O6
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NC(C(O)C)C(OC)=O)C
InChI:   InChI=1/C13H24N2O6/c1-7(14-12(19)21-13(3,4)5)10(17)15-9(8(2)16)11(18)20-6/h7-9,16H,1-6H3,(H,14,19)(H,15,17)/t7-,8+,9+/m1/s1

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Potential Energy
Epot(MMFF94)=64.2192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.343 g/mol  logS: -1.85418  SlogP: -0.0618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.069527  Sterimol/B1: 2.44194  Sterimol/B2: 3.57247  Sterimol/B3: 4.18397
  Sterimol/B4: 6.87986  Sterimol/L: 17.5531 
 
 Surface and Volume Properties
  Accessible surface: 566.872  Positive charged surface: 408.679  Negative charged surface: 158.193  Volume: 289.625
  Hydrophobic surface: 338.645  Hydrophilic surface: 228.227
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.