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PUBCHEM-ZINC05760061

 MMsINC code: MMs03373598
Type: Neutral
Formula: C11H20N2O2
SMILES:   O=C1NC(CC(C)C)C(=O)NC1C(C)C
InChI:   InChI=1/C11H20N2O2/c1-6(2)5-8-10(14)13-9(7(3)4)11(15)12-8/h6-9H,5H2,1-4H3,(H,12,15)(H,13,14)/t8-,9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.0264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.293 g/mol  logS: -2.37469  SlogP: 0.6717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182881  Sterimol/B1: 2.28033  Sterimol/B2: 2.54057  Sterimol/B3: 5.2103
  Sterimol/B4: 6.31872  Sterimol/L: 11.9011 
 
 Surface and Volume Properties
  Accessible surface: 424.667  Positive charged surface: 283.063  Negative charged surface: 141.604  Volume: 217.5
  Hydrophobic surface: 236.862  Hydrophilic surface: 187.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.