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NCID-ZINC05208149

 MMsINC code: MMs02448873
Type: Neutral
Formula: C24H26F6N2O2
SMILES:   FC(F)(F)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(ccc2)C(F)(F)F)ccc1
InChI:   InChI=1/C24H26F6N2O2/c25-23(26,27)17-9-7-11-19(15-17)31-21(33)13-5-3-1-2-4-6-14-22(34)32-20-12-8-10-18(16-20)24(28,29)30/h7-12,15-16H,1-6,13-14H2,(H,31,33)(H,32,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.1835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.472 g/mol  logS: -7.92476  SlogP: 8.0452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014493  Sterimol/B1: 3.08155  Sterimol/B2: 3.09727  Sterimol/B3: 4.49578
  Sterimol/B4: 5.70395  Sterimol/L: 27.0578 
 
 Surface and Volume Properties
  Accessible surface: 799.794  Positive charged surface: 423.042  Negative charged surface: 376.751  Volume: 423.625
  Hydrophobic surface: 510.43  Hydrophilic surface: 289.364
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.