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PUBCHEM-ZINC05489557

 MMsINC code: MMs03284579
Type: Neutral
Formula: C30H30O2
SMILES:   OC(c1ccc(cc1)CCCCc1ccc(cc1)C(O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C30H30O2/c31-29(25-11-3-1-4-12-25)27-19-15-23(16-20-27)9-7-8-10-24-17-21-28(22-18-24)30(32)26-13-5-2-6-14-26/h1-6,11-22,29-32H,7-10H2/t29-,30-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.568 g/mol  logS: -7.98446  SlogP: 6.60634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308582  Sterimol/B1: 2.82612  Sterimol/B2: 3.56682  Sterimol/B3: 4.31333
  Sterimol/B4: 5.80911  Sterimol/L: 24.338 
 
 Surface and Volume Properties
  Accessible surface: 785.634  Positive charged surface: 439.602  Negative charged surface: 346.032  Volume: 445.25
  Hydrophobic surface: 708.132  Hydrophilic surface: 77.502
 
 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.