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PUBCHEM-ZINC06467936

 MMsINC code: MMs03749616
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-/m0/s1

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Potential Energy
Epot(MMFF94)=72.3139 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: 0.0771617  Sterimol/B1: 2.47422  Sterimol/B2: 3.41246  Sterimol/B3: 4.6757
  Sterimol/B4: 7.14642  Sterimol/L: 16.9401 
 
 Surface and Volume Properties
  Accessible surface: 592.406  Positive charged surface: 435.959  Negative charged surface: 156.447  Volume: 325.25
  Hydrophobic surface: 360.417  Hydrophilic surface: 231.989
 
 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.