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PUBCHEM-ZINC03122204

 MMsINC code: MMs02996777
Type: Neutral
Formula: C34H26O2
SMILES:   Oc1ccccc1-c1c(c2c(cc1C)cccc2)-c1c2c(cc(C)c1-c1ccccc1O)cccc2
InChI:   InChI=1/C34H26O2/c1-21-19-23-11-3-5-13-25(23)33(31(21)27-15-7-9-17-29(27)35)34-26-14-6-4-12-24(26)20-22(2)32(34)28-16-8-10-18-30(28)36/h3-20,35-36H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=188.452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.58 g/mol  logS: -12.6437  SlogP: 9.02204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.71327  Sterimol/B1: 2.01967  Sterimol/B2: 4.68248  Sterimol/B3: 6.24245
  Sterimol/B4: 9.55809  Sterimol/L: 12.5335 
 
 Surface and Volume Properties
  Accessible surface: 661.49  Positive charged surface: 389.475  Negative charged surface: 266.985  Volume: 464.5
  Hydrophobic surface: 630.713  Hydrophilic surface: 30.777
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.