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PUBCHEM-ZINC06030420

 MMsINC code: MMs03502924
Type: Neutral
Formula: C26H30O
SMILES:   Oc1c(cc(cc1C(C)c1ccccc1)C(C)(C)C)C(C)c1ccccc1
InChI:   InChI=1/C26H30O/c1-18(20-12-8-6-9-13-20)23-16-22(26(3,4)5)17-24(25(23)27)19(2)21-14-10-7-11-15-21/h6-19,27H,1-5H3/t18-,19+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.525 g/mol  logS: -7.67881  SlogP: 6.9933  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.290494  Sterimol/B1: 2.5088  Sterimol/B2: 5.31593  Sterimol/B3: 6.34677
  Sterimol/B4: 6.90534  Sterimol/L: 13.5336 
 
 Surface and Volume Properties
  Accessible surface: 644.416  Positive charged surface: 389.639  Negative charged surface: 254.777  Volume: 389.75
  Hydrophobic surface: 533.03  Hydrophilic surface: 111.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.