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PUBCHEM-ZINC06794670

 MMsINC code: MMs03862401
Type: Neutral
Formula: C14H26N2O4
SMILES:   OCC(NC(=O)C(CC=C)CC(=O)NC(CO)C)(C)C
InChI:   InChI=1/C14H26N2O4/c1-5-6-11(7-12(19)15-10(2)8-17)13(20)16-14(3,4)9-18/h5,10-11,17-18H,1,6-9H2,2-4H3,(H,15,19)(H,16,20)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=54.6476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.372 g/mol  logS: -1.15568  SlogP: -0.0471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0999283  Sterimol/B1: 2.15543  Sterimol/B2: 4.13232  Sterimol/B3: 5.08213
  Sterimol/B4: 7.79479  Sterimol/L: 15.4528 
 
 Surface and Volume Properties
  Accessible surface: 571.713  Positive charged surface: 422.172  Negative charged surface: 149.541  Volume: 293.375
  Hydrophobic surface: 338.742  Hydrophilic surface: 232.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.