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NCID-ZINC05835890

 MMsINC code: MMs02504622
Type: Neutral
Formula: C25H15FO8
SMILES:   Fc1ccccc1C(C=1C(Oc2c(ccc(O)c2)C=1O)=O)C=1C(Oc2c(ccc(O)c2)C=1
O)=O
InChI:   InChI=1/C25H15FO8/c26-16-4-2-1-3-13(16)19(20-22(29)14-7-5-11(27)9-17(14)33-24(20)31)21-23(30)15-8-6-12(28)10-18(15)34-25(21)32/h1-10,19,27-30H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.385 g/mol  logS: -6.59381  SlogP: 4.0971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176889  Sterimol/B1: 2.54065  Sterimol/B2: 3.82727  Sterimol/B3: 6.53421
  Sterimol/B4: 9.33501  Sterimol/L: 16.033 
 
 Surface and Volume Properties
  Accessible surface: 640.953  Positive charged surface: 345.256  Negative charged surface: 295.697  Volume: 378.25
  Hydrophobic surface: 419.879  Hydrophilic surface: 221.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.