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PUBCHEM-ZINC03124052

MMsINC code: MMs02997339

Type: Neutral
Formula: C24H28O2
SMILES:   O=Cc1c(C)c(C(=CCC)c2c(C)c(C=O)c(cc2C)C)c(cc1C)C
InChI:   InChI=1/C24H28O2/c1-8-9-20(23-16(4)10-14(2)21(12-25)18(23)6)24-17(5)11-15(3)22(13-26)19(24)7/h9-13H,8H2,1-7H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=169.512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.486 g/mol  logS: -7.96042  SlogP: 5.82111  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.343405  Sterimol/B1: 2.15834  Sterimol/B2: 4.21187  Sterimol/B3: 5.58082
  Sterimol/B4: 8.98744  Sterimol/L: 14.1919 
 
 Surface and Volume Properties
  Accessible surface: 580.253  Positive charged surface: 379.805  Negative charged surface: 200.448  Volume: 366.375
  Hydrophobic surface: 461.232  Hydrophilic surface: 119.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.