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NCID-ZINC01594440

 MMsINC code: MMs02248772
Type: Neutral
Formula: C33H28O2
SMILES:   OC(C(O)(C(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C33H28O2/c34-32(28-20-10-3-11-21-28,29-22-12-4-13-23-29)33(35,30-24-14-5-15-25-30)31(26-16-6-1-7-17-26)27-18-8-2-9-19-27/h1-25,31,34-35H/t33-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=384.052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.585 g/mol  logS: -7.96099  SlogP: 7.2654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.538669  Sterimol/B1: 2.55616  Sterimol/B2: 4.70935  Sterimol/B3: 7.8175
  Sterimol/B4: 8.86555  Sterimol/L: 12.8702 
 
 Surface and Volume Properties
  Accessible surface: 670.683  Positive charged surface: 379.337  Negative charged surface: 291.347  Volume: 452.25
  Hydrophobic surface: 655.955  Hydrophilic surface: 14.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.