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CHEMBLOCK-ZINC04594365

 MMsINC code: MMs00560552
Type: Neutral
Formula: C18H19NO7
SMILES:   O(C)c1cc(C(O)=O)c(NC(=O)c2cc(OC)cc(OC)c2)cc1OC
InChI:   InChI=1/C18H19NO7/c1-23-11-5-10(6-12(7-11)24-2)17(20)19-14-9-16(26-4)15(25-3)8-13(14)18(21)22/h5-9H,1-4H3,(H,19,20)(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.35 g/mol  logS: -3.52579  SlogP: 2.6715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0249579  Sterimol/B1: 2.11782  Sterimol/B2: 4.01108  Sterimol/B3: 4.07488
  Sterimol/B4: 7.72112  Sterimol/L: 17.6273 
 
 Surface and Volume Properties
  Accessible surface: 610.871  Positive charged surface: 474.536  Negative charged surface: 136.334  Volume: 325.875
  Hydrophobic surface: 464.211  Hydrophilic surface: 146.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  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


MMs00560553
CHEMBLOCK-ZINC04594365