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PUBCHEM-ZINC05496027

 MMsINC code: MMs03286453
Type: Neutral
Formula: C11H22N2O
SMILES:   O=C(N1CCN(CC1)C)CC(C)(C)C
InChI:   InChI=1/C11H22N2O/c1-11(2,3)9-10(14)13-7-5-12(4)6-8-13/h5-9H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.2368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.31 g/mol  logS: -1.45864  SlogP: 1.1966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106476  Sterimol/B1: 2.56852  Sterimol/B2: 2.95437  Sterimol/B3: 4.57984
  Sterimol/B4: 4.61373  Sterimol/L: 13.2858 
 
 Surface and Volume Properties
  Accessible surface: 434.588  Positive charged surface: 365.983  Negative charged surface: 68.6042  Volume: 219.75
  Hydrophobic surface: 363.598  Hydrophilic surface: 70.99
 
 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


MMs03286454
PUBCHEM-ZINC05496027