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CHEMBRIDGE-ZINC02988861

MMsINC code: MMs00746667

Type: Neutral
Formula: C23H23NO2
SMILES:   O(CCOCCn1c2c(c3c1cccc3)cccc2)c1cc(ccc1)C
InChI:   InChI=1/C23H23NO2/c1-18-7-6-8-19(17-18)26-16-15-25-14-13-24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24/h2-12,17H,13-16H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=80.8846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.442 g/mol  logS: -5.87675  SlogP: 5.46492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327765  Sterimol/B1: 2.56475  Sterimol/B2: 3.97884  Sterimol/B3: 4.70229
  Sterimol/B4: 7.6132  Sterimol/L: 18.6057 
 
 Surface and Volume Properties
  Accessible surface: 666.741  Positive charged surface: 405.213  Negative charged surface: 250.027  Volume: 357.25
  Hydrophobic surface: 656.27  Hydrophilic surface: 10.471
 
 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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.