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CHEMDIV-ZINC06858187

 MMsINC code: MMs01047701
Type: Neutral
Formula: C26H25FN2O2
SMILES:   Fc1ccc(cc1)Cn1cc(c2c1cccc2)CCC(=O)NCc1ccc(OC)cc1
InChI:   InChI=1/C26H25FN2O2/c1-31-23-13-8-19(9-14-23)16-28-26(30)15-10-21-18-29(25-5-3-2-4-24(21)25)17-20-6-11-22(27)12-7-20/h2-9,11-14,18H,10,15-17H2,1H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.1087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.496 g/mol  logS: -5.53947  SlogP: 5.61907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0424325  Sterimol/B1: 2.68424  Sterimol/B2: 5.00622  Sterimol/B3: 5.37815
  Sterimol/B4: 5.966  Sterimol/L: 22.7248 
 
 Surface and Volume Properties
  Accessible surface: 746.289  Positive charged surface: 463.338  Negative charged surface: 278.231  Volume: 414.125
  Hydrophobic surface: 664.326  Hydrophilic surface: 81.963
 
 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.