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PUBCHEM-ZINC05179019

 MMsINC code: MMs03221193
Type: Neutral
Formula: C24H30O2
SMILES:   OC1CC(c2c(cc(cc2)/C(=C/c2ccc(cc2)CO)/C)C1(C)C)(C)C
InChI:   InChI=1/C24H30O2/c1-16(12-17-6-8-18(15-25)9-7-17)19-10-11-20-21(13-19)24(4,5)22(26)14-23(20,2)3/h6-13,22,25-26H,14-15H2,1-5H3/b16-12-/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.502 g/mol  logS: -6.01259  SlogP: 5.3256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239033  Sterimol/B1: 2.10449  Sterimol/B2: 4.08598  Sterimol/B3: 5.2981
  Sterimol/B4: 9.3736  Sterimol/L: 13.3941 
 
 Surface and Volume Properties
  Accessible surface: 604.788  Positive charged surface: 409.411  Negative charged surface: 195.378  Volume: 372.75
  Hydrophobic surface: 437.916  Hydrophilic surface: 166.872
 
 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: no related molecules available.