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PUBCHEM-ZINC05762191

 MMsINC code: MMs03375535
Type: Neutral
Formula: C23H26O2
SMILES:   OC(=O)c1ccc(cc1)\C=C\c1cc2c(cc1)C(CCC2(C)C)(C)C
InChI:   InChI=1/C23H26O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h5-12,15H,13-14H2,1-4H3,(H,24,25)/b6-5+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.459 g/mol  logS: -8.16558  SlogP: 5.9042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387474  Sterimol/B1: 2.33458  Sterimol/B2: 2.62384  Sterimol/B3: 4.55951
  Sterimol/B4: 7.41817  Sterimol/L: 18.1897 
 
 Surface and Volume Properties
  Accessible surface: 609.286  Positive charged surface: 359.796  Negative charged surface: 249.49  Volume: 351.25
  Hydrophobic surface: 445.007  Hydrophilic surface: 164.279
 
 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


MMs03375536
PUBCHEM-ZINC05762191