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PUBCHEM-ZINC04521123

 MMsINC code: MMs03127677
Type: Neutral
Formula: C30H46O2
SMILES:   Oc1cc(cc(C(C)(C)C)c1C(C)c1c(cc(cc1O)C(C)(C)C)C(C)(C)C)C(C)(C
)C
InChI:   InChI=1/C30H46O2/c1-18(25-21(29(8,9)10)14-19(16-23(25)31)27(2,3)4)26-22(30(11,12)13)15-20(17-24(26)32)28(5,6)7/h14-18,31-32H,1-13H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=416.724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.696 g/mol  logS: -11.0575  SlogP: 8.4396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183175  Sterimol/B1: 2.6813  Sterimol/B2: 3.6781  Sterimol/B3: 6.79809
  Sterimol/B4: 7.93992  Sterimol/L: 16.1243 
 
 Surface and Volume Properties
  Accessible surface: 697.857  Positive charged surface: 481.746  Negative charged surface: 216.111  Volume: 473.875
  Hydrophobic surface: 475.667  Hydrophilic surface: 222.19
 
 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: no related molecules available.