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PUBCHEM-ZINC06487298

 MMsINC code: MMs03762125
Type: Neutral
Formula: C24H30O2
SMILES:   OC(=O)c1ccc(cc1)CC(C)c1cc2c(cc1)C(CCC2(C)C)(C)C
InChI:   InChI=1/C24H30O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,15-16H,12-14H2,1-5H3,(H,25,26)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.502 g/mol  logS: -8.29792  SlogP: 6.07997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.068479  Sterimol/B1: 2.37361  Sterimol/B2: 3.51467  Sterimol/B3: 5.57747
  Sterimol/B4: 6.35093  Sterimol/L: 18.1394 
 
 Surface and Volume Properties
  Accessible surface: 622.946  Positive charged surface: 398.94  Negative charged surface: 224.006  Volume: 374.375
  Hydrophobic surface: 441.061  Hydrophilic surface: 181.885
 
 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: 1
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Ions/Tautomers related molecules


MMs03762126
PUBCHEM-ZINC06487298