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PUBCHEM-ZINC06468878

 MMsINC code: MMs03750470
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)=67.3034 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: 0.104573  Sterimol/B1: 2.32201  Sterimol/B2: 3.87229  Sterimol/B3: 4.20984
  Sterimol/B4: 9.79044  Sterimol/L: 15.401 
 
 Surface and Volume Properties
  Accessible surface: 605.985  Positive charged surface: 442.32  Negative charged surface: 163.666  Volume: 327.25
  Hydrophobic surface: 364.325  Hydrophilic surface: 241.66
 
 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.