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PUBCHEM-ZINC06394187

 MMsINC code: MMs03704794
Type: Neutral
Formula: C16H22N2O2
SMILES:   O(NC=1CC(NC(C=1)(C)C)(C)C)C(=O)c1ccccc1
InChI:   InChI=1/C16H22N2O2/c1-15(2)10-13(11-16(3,4)18-15)17-20-14(19)12-8-6-5-7-9-12/h5-10,17-18H,11H2,1-4H3

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Potential Energy
Epot(MMFF94)=81.938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.364 g/mol  logS: -3.14181  SlogP: 2.7824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0704704  Sterimol/B1: 1.98299  Sterimol/B2: 3.36976  Sterimol/B3: 5.40223
  Sterimol/B4: 5.48936  Sterimol/L: 15.5472 
 
 Surface and Volume Properties
  Accessible surface: 533.025  Positive charged surface: 330.737  Negative charged surface: 202.289  Volume: 282.625
  Hydrophobic surface: 392.102  Hydrophilic surface: 140.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03704795
PUBCHEM-ZINC06394187