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IBS-ZINC05451909

 MMsINC code: MMs01948657
Type: Neutral
Formula: C24H21FN2O3
SMILES:   Fc1ccc(cc1)COc1cc(O)c(cc1)-c1n[nH]c(C)c1-c1ccc(OC)cc1
InChI:   InChI=1/C24H21FN2O3/c1-15-23(17-5-9-19(29-2)10-6-17)24(27-26-15)21-12-11-20(13-22(21)28)30-14-16-3-7-18(25)8-4-16/h3-13,28H,14H2,1-2H3,(H,26,27)

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Potential Energy
Epot(MMFF94)=117.283 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: 0.0692518  Sterimol/B1: 3.60626  Sterimol/B2: 3.99151  Sterimol/B3: 4.39968
  Sterimol/B4: 8.89995  Sterimol/L: 18.7445 
 
 Surface and Volume Properties
  Accessible surface: 687.01  Positive charged surface: 428.235  Negative charged surface: 258.775  Volume: 382.625
  Hydrophobic surface: 563.834  Hydrophilic surface: 123.176
 
 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.