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CHEMDIV-ZINC06858210

 MMsINC code: MMs01047712
Type: Neutral
Formula: C26H25FN2O2
SMILES:   Fc1ccc(cc1)Cn1cc(c2c1cccc2)CCC(=O)NCc1ccccc1OC
InChI:   InChI=1/C26H25FN2O2/c1-31-25-9-5-2-6-20(25)16-28-26(30)15-12-21-18-29(24-8-4-3-7-23(21)24)17-19-10-13-22(27)14-11-19/h2-11,13-14,18H,12,15-17H2,1H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.2967 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: 0.0487743  Sterimol/B1: 2.37327  Sterimol/B2: 2.97488  Sterimol/B3: 5.12029
  Sterimol/B4: 9.37804  Sterimol/L: 20.6838 
 
 Surface and Volume Properties
  Accessible surface: 742.424  Positive charged surface: 461.353  Negative charged surface: 276.293  Volume: 414
  Hydrophobic surface: 669.849  Hydrophilic surface: 72.575
 
 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.