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IBS-ZINC06662659

 MMsINC code: MMs01963044
Type: Neutral
Formula: C19H16F3NO5
SMILES:   FC(F)(F)c1noc(c1-c1cc(OC)c(OC)cc1)-c1ccc(OC)cc1O
InChI:   InChI=1/C19H16F3NO5/c1-25-11-5-6-12(13(24)9-11)17-16(18(23-28-17)19(20,21)22)10-4-7-14(26-2)15(8-10)27-3/h4-9,24H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=156.582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.333 g/mol  logS: -5.85145  SlogP: 5.0703  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179744  Sterimol/B1: 4.0018  Sterimol/B2: 4.13519  Sterimol/B3: 4.49942
  Sterimol/B4: 8.68633  Sterimol/L: 13.195 
 
 Surface and Volume Properties
  Accessible surface: 607.341  Positive charged surface: 392.41  Negative charged surface: 214.931  Volume: 327.375
  Hydrophobic surface: 423.28  Hydrophilic surface: 184.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.