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CHEMDIV-ZINC04148482

 MMsINC code: MMs00929492
Type: Neutral
Formula: C26H29FN2O2
SMILES:   Fc1ccccc1COc1ccc(cc1OC)CNc1ccc(N2CCCCC2)cc1
InChI:   InChI=1/C26H29FN2O2/c1-30-26-17-20(9-14-25(26)31-19-21-7-3-4-8-24(21)27)18-28-22-10-12-23(13-11-22)29-15-5-2-6-16-29/h3-4,7-14,17,28H,2,5-6,15-16,18-19H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.528 g/mol  logS: -5.79444  SlogP: 6.5485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0266953  Sterimol/B1: 2.2912  Sterimol/B2: 3.46886  Sterimol/B3: 3.70217
  Sterimol/B4: 8.48171  Sterimol/L: 24.4222 
 
 Surface and Volume Properties
  Accessible surface: 759.294  Positive charged surface: 516.022  Negative charged surface: 243.272  Volume: 421.375
  Hydrophobic surface: 720.08  Hydrophilic surface: 39.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.