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PUBCHEM-ZINC05922736

 MMsINC code: MMs03444696
Type: Neutral
Formula: C30H46O2
SMILES:   Oc1c(cc(cc1C(C)(C)C)C(CC)C)C(C)c1cc(cc(C(C)(C)C)c1O)C(CC)C
InChI:   InChI=1/C30H46O2/c1-12-18(3)21-14-23(27(31)25(16-21)29(6,7)8)20(5)24-15-22(19(4)13-2)17-26(28(24)32)30(9,10)11/h14-20,31-32H,12-13H2,1-11H3/t18-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=156.415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.696 g/mol  logS: -10.4305  SlogP: 8.8716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181724  Sterimol/B1: 2.11812  Sterimol/B2: 2.33842  Sterimol/B3: 6.74988
  Sterimol/B4: 10.5581  Sterimol/L: 14.8568 
 
 Surface and Volume Properties
  Accessible surface: 748.529  Positive charged surface: 526.325  Negative charged surface: 222.204  Volume: 491.375
  Hydrophobic surface: 527.819  Hydrophilic surface: 220.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.