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IBS-ZINC05452327

 MMsINC code: MMs01949078
Type: Neutral
Formula: C24H21FN2O4
SMILES:   Fc1ccc(cc1)COc1cc(O)c(cc1)-c1n[nH]c(C)c1Oc1cc(OC)ccc1
InChI:   InChI=1/C24H21FN2O4/c1-15-24(31-20-5-3-4-18(12-20)29-2)23(27-26-15)21-11-10-19(13-22(21)28)30-14-16-6-8-17(25)9-7-16/h3-13,28H,14H2,1-2H3,(H,26,27)

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Potential Energy
Epot(MMFF94)=130.403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.44 g/mol  logS: -6.11389  SlogP: 5.87612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614182  Sterimol/B1: 2.76217  Sterimol/B2: 4.24593  Sterimol/B3: 5.0386
  Sterimol/B4: 9.69179  Sterimol/L: 18.6748 
 
 Surface and Volume Properties
  Accessible surface: 711.692  Positive charged surface: 440.565  Negative charged surface: 271.127  Volume: 389.875
  Hydrophobic surface: 592.271  Hydrophilic surface: 119.421
 
 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.