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NCID-ZINC01622005

 MMsINC code: MMs02269822
Type: Neutral
Formula: C30H30O2
SMILES:   OC(C(O)(c1ccc(cc1)C)c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C30H30O2/c1-21-5-13-25(14-6-21)29(31,26-15-7-22(2)8-16-26)30(32,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28/h5-20,31-32H,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=331.343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.568 g/mol  logS: -8.15274  SlogP: 6.71528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.341117  Sterimol/B1: 3.56138  Sterimol/B2: 5.28181  Sterimol/B3: 6.61097
  Sterimol/B4: 6.83278  Sterimol/L: 15.9545 
 
 Surface and Volume Properties
  Accessible surface: 681.077  Positive charged surface: 429.627  Negative charged surface: 251.45  Volume: 425.75
  Hydrophobic surface: 628.936  Hydrophilic surface: 52.141
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.