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CHEMDIV-ZINC02120404

 MMsINC code: MMs00870894
Type: Neutral
Formula: C24H21NO5
SMILES:   O1c2c3CN(COc3ccc2-c2c(cccc2)C1=O)Cc1cc(OC)c(OC)cc1
InChI:   InChI=1/C24H21NO5/c1-27-21-9-7-15(11-22(21)28-2)12-25-13-19-20(29-14-25)10-8-17-16-5-3-4-6-18(16)24(26)30-23(17)19/h3-11H,12-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.434 g/mol  logS: -6.33639  SlogP: 4.7883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0649168  Sterimol/B1: 3.25581  Sterimol/B2: 3.6042  Sterimol/B3: 4.60993
  Sterimol/B4: 6.66127  Sterimol/L: 20.3749 
 
 Surface and Volume Properties
  Accessible surface: 670.964  Positive charged surface: 450.59  Negative charged surface: 209.273  Volume: 376.125
  Hydrophobic surface: 567.27  Hydrophilic surface: 103.694
 
 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.