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PUBCHEM-ZINC05642537

 MMsINC code: MMs03332739
Type: Neutral
Formula: C20H26O2
SMILES:   O(c1cc(ccc1O)C(C)(C)C)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C20H26O2/c1-19(2,3)14-7-10-16(11-8-14)22-18-13-15(20(4,5)6)9-12-17(18)21/h7-13,21H,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.426 g/mol  logS: -6.8448  SlogP: 5.7795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105688  Sterimol/B1: 2.71765  Sterimol/B2: 3.1886  Sterimol/B3: 4.6977
  Sterimol/B4: 7.35539  Sterimol/L: 14.3669 
 
 Surface and Volume Properties
  Accessible surface: 560.033  Positive charged surface: 366.702  Negative charged surface: 193.331  Volume: 321.25
  Hydrophobic surface: 411.268  Hydrophilic surface: 148.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.