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CHEMBRIDGE-ZINC02992809

MMsINC code: MMs00747494

Type: Neutral
Formula: C24H25NO
SMILES:   O(CCCCn1c2c(c3c1cccc3)cccc2)c1cc(C)c(cc1)C
InChI:   InChI=1/C24H25NO/c1-18-13-14-20(17-19(18)2)26-16-8-7-15-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h3-6,9-14,17H,7-8,15-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=78.714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.47 g/mol  logS: -6.61157  SlogP: 6.53694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619834  Sterimol/B1: 2.44902  Sterimol/B2: 5.44848  Sterimol/B3: 5.96401
  Sterimol/B4: 5.96816  Sterimol/L: 18.301 
 
 Surface and Volume Properties
  Accessible surface: 660.678  Positive charged surface: 391.342  Negative charged surface: 258.695  Volume: 365.125
  Hydrophobic surface: 654.344  Hydrophilic surface: 6.3339999999999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.