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ACDBLOCKS-ZINC04235026

 MMsINC code: MMs00002313
Type: Neutral
Formula: C16H20N2O2
SMILES:   O(C(=O)c1c(n(nc1C)-c1ccccc1)C(C)(C)C)C
InChI:   InChI=1/C16H20N2O2/c1-11-13(15(19)20-5)14(16(2,3)4)18(17-11)12-9-7-6-8-10-12/h6-10H,1-5H3

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Potential Energy
Epot(MMFF94)=126.945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.348 g/mol  logS: -3.15261  SlogP: 3.26482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122961  Sterimol/B1: 2.4146  Sterimol/B2: 3.09098  Sterimol/B3: 3.93559
  Sterimol/B4: 7.82038  Sterimol/L: 14.2658 
 
 Surface and Volume Properties
  Accessible surface: 498.638  Positive charged surface: 321.327  Negative charged surface: 177.311  Volume: 275.5
  Hydrophobic surface: 418.003  Hydrophilic surface: 80.635
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.