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CHEMDIV-ZINC02689895

 MMsINC code: MMs00884330
Type: Neutral
Formula: C25H19NO4
SMILES:   O1c2c(OC1)cc1N(C=C(C(=O)c3ccc(cc3)C)C(=O)c1c2)Cc1ccccc1
InChI:   InChI=1/C25H19NO4/c1-16-7-9-18(10-8-16)24(27)20-14-26(13-17-5-3-2-4-6-17)21-12-23-22(29-15-30-23)11-19(21)25(20)28/h2-12,14H,13,15H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.43 g/mol  logS: -6.34437  SlogP: 4.95982  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0609175  Sterimol/B1: 3.03423  Sterimol/B2: 4.21938  Sterimol/B3: 6.54525
  Sterimol/B4: 6.86388  Sterimol/L: 17.1299 
 
 Surface and Volume Properties
  Accessible surface: 655.861  Positive charged surface: 372.158  Negative charged surface: 283.702  Volume: 375
  Hydrophobic surface: 529.802  Hydrophilic surface: 126.059
 
 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.