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PEAKDALE-ZINC01496183

 MMsINC code: MMs02609855
Type: Neutral
Formula: C11H18N2O2
SMILES:   O(N(C(=O)CC(n1cccc1)(C)C)C)C
InChI:   InChI=1/C11H18N2O2/c1-11(2,13-7-5-6-8-13)9-10(14)12(3)15-4/h5-8H,9H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -0.57959  SlogP: 1.9446  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.104164  Sterimol/B1: 2.1062  Sterimol/B2: 2.49295  Sterimol/B3: 4.62365
  Sterimol/B4: 6.5068  Sterimol/L: 13.1022 
 
 Surface and Volume Properties
  Accessible surface: 435.111  Positive charged surface: 309.581  Negative charged surface: 125.53  Volume: 219.125
  Hydrophobic surface: 350.432  Hydrophilic surface: 84.679
 
 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.