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IBS-ZINC05423549

 MMsINC code: MMs01946008
Type: Neutral
Formula: C23H18FNO4
SMILES:   Fc1ccc(cc1)COc1cc(O)c(cc1)-c1oncc1-c1ccccc1OC
InChI:   InChI=1/C23H18FNO4/c1-27-22-5-3-2-4-18(22)20-13-25-29-23(20)19-11-10-17(12-21(19)26)28-14-15-6-8-16(24)9-7-15/h2-13,26H,14H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.398 g/mol  logS: -6.65448  SlogP: 5.7073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113883  Sterimol/B1: 2.36442  Sterimol/B2: 4.17558  Sterimol/B3: 6.95367
  Sterimol/B4: 7.3781  Sterimol/L: 17.7577 
 
 Surface and Volume Properties
  Accessible surface: 642.193  Positive charged surface: 387.438  Negative charged surface: 254.755  Volume: 357.875
  Hydrophobic surface: 561.527  Hydrophilic surface: 80.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.