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PUBCHEM-ZINC06777786

 MMsINC code: MMs03858174
Type: Neutral
Formula: C14H19NO2
SMILES:   O=C1N(C(CC)(C)C)C(=O)C2C1C1CC2C=C1
InChI:   InChI=1/C14H19NO2/c1-4-14(2,3)15-12(16)10-8-5-6-9(7-8)11(10)13(15)17/h5-6,8-11H,4,7H2,1-3H3/t8-,9+,10-,11+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.9104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.311 g/mol  logS: -1.72131  SlogP: 1.9821  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196371  Sterimol/B1: 2.83843  Sterimol/B2: 3.60581  Sterimol/B3: 3.86045
  Sterimol/B4: 5.15588  Sterimol/L: 11.8058 
 
 Surface and Volume Properties
  Accessible surface: 411.727  Positive charged surface: 284.777  Negative charged surface: 126.951  Volume: 232.625
  Hydrophobic surface: 297.314  Hydrophilic surface: 114.413
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.