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PUBCHEM-ZINC03646452

 MMsINC code: MMs03033002
Type: Neutral
Formula: C15H28N2O6
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)C(=O)NC(C(OC)=O)(CO)C
InChI:   InChI=1/C15H28N2O6/c1-9(2)10(16-13(21)23-14(3,4)5)11(19)17-15(6,8-18)12(20)22-7/h9-10,18H,8H2,1-7H3,(H,16,21)(H,17,19)/t10-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=74.5184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.397 g/mol  logS: -2.25772  SlogP: 0.5759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133231  Sterimol/B1: 2.53621  Sterimol/B2: 3.27733  Sterimol/B3: 5.08525
  Sterimol/B4: 7.53917  Sterimol/L: 16.0722 
 
 Surface and Volume Properties
  Accessible surface: 604.01  Positive charged surface: 443.044  Negative charged surface: 160.966  Volume: 324
  Hydrophobic surface: 380.512  Hydrophilic surface: 223.498
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.