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CHEMBRIDGE-ZINC02932821

 MMsINC code: MMs00742334
Type: Neutral
Formula: C15H23NO2
SMILES:   O1CCN(CC1)CCCOc1ccccc1CC
InChI:   InChI=1/C15H23NO2/c1-2-14-6-3-4-7-15(14)18-11-5-8-16-9-12-17-13-10-16/h3-4,6-7H,2,5,8-13H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.5611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.354 g/mol  logS: -2.50209  SlogP: 2.35007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0500278  Sterimol/B1: 2.02401  Sterimol/B2: 2.56886  Sterimol/B3: 4.39374
  Sterimol/B4: 7.37262  Sterimol/L: 15.8078 
 
 Surface and Volume Properties
  Accessible surface: 526.512  Positive charged surface: 409.067  Negative charged surface: 117.445  Volume: 268.25
  Hydrophobic surface: 488.139  Hydrophilic surface: 38.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00742335
CHEMBRIDGE-ZINC02932821