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PUBCHEM-ZINC06096003

 MMsINC code: MMs03542099
Type: Neutral
Formula: C24H18O
SMILES:   OC1c2c3c(cccc3ccc2)C1(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H18O/c25-23-20-15-7-9-17-10-8-16-21(22(17)20)24(23,18-11-3-1-4-12-18)19-13-5-2-6-14-19/h1-16,23,25H/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.407 g/mol  logS: -6.50257  SlogP: 5.3167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.369731  Sterimol/B1: 2.51755  Sterimol/B2: 4.88751  Sterimol/B3: 5.08626
  Sterimol/B4: 9.32838  Sterimol/L: 12.5094 
 
 Surface and Volume Properties
  Accessible surface: 539.728  Positive charged surface: 306.376  Negative charged surface: 227.676  Volume: 324.25
  Hydrophobic surface: 508.598  Hydrophilic surface: 31.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.