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PUBCHEM-ZINC01692940

 MMsINC code: MMs02818677
Type: Neutral
Formula: C30H25NO2
SMILES:   O(Cc1ccccc1)c1cc(ccc1OCc1ccccc1)Cc1nccc2c1cccc2
InChI:   InChI=1/C30H25NO2/c1-3-9-23(10-4-1)21-32-29-16-15-25(20-30(29)33-22-24-11-5-2-6-12-24)19-28-27-14-8-7-13-26(27)17-18-31-28/h1-18,20H,19,21-22H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 431.535 g/mol  logS: -7.59703  SlogP: 7.51637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122672  Sterimol/B1: 3.47722  Sterimol/B2: 4.13647  Sterimol/B3: 5.15621
  Sterimol/B4: 9.68767  Sterimol/L: 17.5001 
 
 Surface and Volume Properties
  Accessible surface: 769.951  Positive charged surface: 452.483  Negative charged surface: 308.505  Volume: 439.25
  Hydrophobic surface: 750.498  Hydrophilic surface: 19.453
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.