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PUBCHEM-ZINC03874327

 MMsINC code: MMs03082274
Type: Neutral
Formula: C15H28N2O5
SMILES:   OC(CC(O)=O)C(=O)NC(CC(C)C)C(=O)NCCC(C)C
InChI:   InChI=1/C15H28N2O5/c1-9(2)5-6-16-14(21)11(7-10(3)4)17-15(22)12(18)8-13(19)20/h9-12,18H,5-8H2,1-4H3,(H,16,21)(H,17,22)(H,19,20)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=54.1207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.398 g/mol  logS: -2.72974  SlogP: 0.5152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0630054  Sterimol/B1: 2.55315  Sterimol/B2: 4.54177  Sterimol/B3: 5.6745
  Sterimol/B4: 6.37352  Sterimol/L: 17.0191 
 
 Surface and Volume Properties
  Accessible surface: 606.93  Positive charged surface: 423.391  Negative charged surface: 183.539  Volume: 313.5
  Hydrophobic surface: 336.137  Hydrophilic surface: 270.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03082275
PUBCHEM-ZINC03874327