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PUBCHEM-ZINC06468859

 MMsINC code: MMs03750463
Type: Neutral
Formula: C16H30N2O4
SMILES:   OCC(NC(=O)C(CC=C)CC(=O)NC(CO)C)C(C)(C)C
InChI:   InChI=1/C16H30N2O4/c1-6-7-12(8-14(21)17-11(2)9-19)15(22)18-13(10-20)16(3,4)5/h6,11-13,19-20H,1,7-10H2,2-5H3,(H,17,21)(H,18,22)/t11-,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=72.1799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.426 g/mol  logS: -1.43378  SlogP: 0.589  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0682339  Sterimol/B1: 3.26192  Sterimol/B2: 3.96917  Sterimol/B3: 4.34847
  Sterimol/B4: 5.93537  Sterimol/L: 16.7821 
 
 Surface and Volume Properties
  Accessible surface: 585.312  Positive charged surface: 427.924  Negative charged surface: 157.389  Volume: 326.5
  Hydrophobic surface: 352.71  Hydrophilic surface: 232.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.