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PUBCHEM-ZINC01851706

 MMsINC code: MMs02825964
Type: Neutral
Formula: C11H24N2O
SMILES:   O=C(NC(CC)(C)C)CN(CC)CC
InChI:   InChI=1/C11H24N2O/c1-6-11(4,5)12-10(14)9-13(7-2)8-3/h6-9H2,1-5H3,(H,12,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.6433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.326 g/mol  logS: -1.49882  SlogP: 1.633  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906817  Sterimol/B1: 3.11669  Sterimol/B2: 3.57338  Sterimol/B3: 3.92665
  Sterimol/B4: 4.88499  Sterimol/L: 13.468 
 
 Surface and Volume Properties
  Accessible surface: 456.017  Positive charged surface: 342.838  Negative charged surface: 113.179  Volume: 230.625
  Hydrophobic surface: 331.295  Hydrophilic surface: 124.722
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02825965
PUBCHEM-ZINC01851706