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CHEMBRIDGE-ZINC02493466

 MMsINC code: MMs00710928
Type: Neutral
Formula: C15H23NO2
SMILES:   O1CCN(CC1)CCCOc1cccc(C)c1C
InChI:   InChI=1/C15H23NO2/c1-13-5-3-6-15(14(13)2)18-10-4-7-16-8-11-17-12-9-16/h3,5-6H,4,7-12H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.6681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.354 g/mol  logS: -2.46079  SlogP: 2.40454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0305651  Sterimol/B1: 2.98753  Sterimol/B2: 3.13438  Sterimol/B3: 3.33416
  Sterimol/B4: 5.60701  Sterimol/L: 16.768 
 
 Surface and Volume Properties
  Accessible surface: 527.926  Positive charged surface: 405.209  Negative charged surface: 122.717  Volume: 266.875
  Hydrophobic surface: 510.79  Hydrophilic surface: 17.136
 
 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


MMs00710929
CHEMBRIDGE-ZINC02493466