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PUBCHEM-ZINC01762464

 MMsINC code: MMs02820192
Type: Neutral
Formula: C21H17NO4
SMILES:   O1c2c(OC1)cc1c(c3nc(c4cc(OC)c(OC)cc4c3cc1)C)c2
InChI:   InChI=1/C21H17NO4/c1-11-14-7-17(23-2)18(24-3)9-16(14)13-5-4-12-6-19-20(26-10-25-19)8-15(12)21(13)22-11/h4-9H,10H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.37 g/mol  logS: -6.09843  SlogP: 4.59552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00994222  Sterimol/B1: 2.0817  Sterimol/B2: 2.51272  Sterimol/B3: 2.85241
  Sterimol/B4: 8.96185  Sterimol/L: 17.5647 
 
 Surface and Volume Properties
  Accessible surface: 580.976  Positive charged surface: 401.923  Negative charged surface: 152.053  Volume: 323.25
  Hydrophobic surface: 496.888  Hydrophilic surface: 84.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.