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PUBCHEM-ZINC02868263

 MMsINC code: MMs02947415
Type: Neutral
Formula: C14H24N2O2
SMILES:   O(CCOCCNCCN(C)C)c1ccccc1
InChI:   InChI=1/C14H24N2O2/c1-16(2)10-8-15-9-11-17-12-13-18-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.5358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -1.24273  SlogP: 1.2332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675263  Sterimol/B1: 2.18438  Sterimol/B2: 2.76488  Sterimol/B3: 4.49151
  Sterimol/B4: 7.56075  Sterimol/L: 16.7865 
 
 Surface and Volume Properties
  Accessible surface: 579.141  Positive charged surface: 474.851  Negative charged surface: 104.29  Volume: 272.875
  Hydrophobic surface: 550.867  Hydrophilic surface: 28.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs02947416
PUBCHEM-ZINC02868263