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IBS-ZINC05451132

 MMsINC code: MMs01947886
Type: Neutral
Formula: C24H21FN2O3
SMILES:   Fc1ccccc1COc1cc(O)c(cc1)-c1n[nH]c(C)c1-c1ccc(OC)cc1
InChI:   InChI=1/C24H21FN2O3/c1-15-23(16-7-9-18(29-2)10-8-16)24(27-26-15)20-12-11-19(13-22(20)28)30-14-17-5-3-4-6-21(17)25/h3-13,28H,14H2,1-2H3,(H,26,27)

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Potential Energy
Epot(MMFF94)=115.849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.441 g/mol  logS: -6.75756  SlogP: 5.75082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0735786  Sterimol/B1: 3.24656  Sterimol/B2: 4.05648  Sterimol/B3: 4.19358
  Sterimol/B4: 8.74388  Sterimol/L: 18.4863 
 
 Surface and Volume Properties
  Accessible surface: 678.537  Positive charged surface: 426.867  Negative charged surface: 251.67  Volume: 382.125
  Hydrophobic surface: 560.37  Hydrophilic surface: 118.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.