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PUBCHEM-ZINC00689654

 MMsINC code: MMs02728120
Type: Neutral
Formula: C19H16O7
SMILES:   O1c2c(C(=O)C(c3ccc(OC)cc3)=C1C(O)=O)c(OC)cc(OC)c2
InChI:   InChI=1/C19H16O7/c1-23-11-6-4-10(5-7-11)15-17(20)16-13(25-3)8-12(24-2)9-14(16)26-18(15)19(21)22/h4-9H,1-3H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.33 g/mol  logS: -4.70506  SlogP: 2.7834  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0351022  Sterimol/B1: 2.58937  Sterimol/B2: 4.08818  Sterimol/B3: 4.21064
  Sterimol/B4: 7.66326  Sterimol/L: 18.3484 
 
 Surface and Volume Properties
  Accessible surface: 588.356  Positive charged surface: 436.083  Negative charged surface: 152.273  Volume: 314.5
  Hydrophobic surface: 457.909  Hydrophilic surface: 130.447
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules


MMs02728121
PUBCHEM-ZINC00689654