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NCID-ZINC05340391

 MMsINC code: MMs02452992
Type: Neutral
Formula: C32H24O2
SMILES:   OC1(c2c(ccc(c2)-c2ccccc2)C(O)(c2c1cccc2)c1ccccc1)c1ccccc1
InChI:   InChI=1/C32H24O2/c33-31(25-14-6-2-7-15-25)27-18-10-11-19-28(27)32(34,26-16-8-3-9-17-26)30-22-24(20-21-29(30)31)23-12-4-1-5-13-23/h1-22,33-34H/t31-,32-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=194.649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.542 g/mol  logS: -8.7794  SlogP: 6.8584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156272  Sterimol/B1: 3.48456  Sterimol/B2: 4.12936  Sterimol/B3: 4.68668
  Sterimol/B4: 8.57545  Sterimol/L: 15.9944 
 
 Surface and Volume Properties
  Accessible surface: 683.62  Positive charged surface: 348.042  Negative charged surface: 325.854  Volume: 435.5
  Hydrophobic surface: 638.068  Hydrophilic surface: 45.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.