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CHEMDIV-ZINC02107419

 MMsINC code: MMs00870736
Type: Neutral
Formula: C23H19NO4
SMILES:   O1c2c3CN(COc3ccc2-c2c(cccc2)C1=O)Cc1ccc(OC)cc1
InChI:   InChI=1/C23H19NO4/c1-26-16-8-6-15(7-9-16)12-24-13-20-21(27-14-24)11-10-18-17-4-2-3-5-19(17)23(25)28-22(18)20/h2-11H,12-14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.408 g/mol  logS: -6.28601  SlogP: 4.7797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0580617  Sterimol/B1: 2.21488  Sterimol/B2: 4.50574  Sterimol/B3: 5.1665
  Sterimol/B4: 5.6674  Sterimol/L: 20.167 
 
 Surface and Volume Properties
  Accessible surface: 621.9  Positive charged surface: 383.928  Negative charged surface: 226.978  Volume: 351.5
  Hydrophobic surface: 525.568  Hydrophilic surface: 96.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.