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PUBCHEM-ZINC02963746

 MMsINC code: MMs02968277
Type: Neutral
Formula: C30H28O6
SMILES:   o1c(C)c(cc1/C(=C(\c1ccccc1)/c1oc(C)c(c1)C(OCC)=O)/c1ccccc1)C
(OCC)=O
InChI:   InChI=1/C30H28O6/c1-5-33-29(31)23-17-25(35-19(23)3)27(21-13-9-7-10-14-21)28(22-15-11-8-12-16-22)26-18-24(20(4)36-26)30(32)34-6-2/h7-18H,5-6H2,1-4H3/b28-27-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.548 g/mol  logS: -8.73494  SlogP: 6.48482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194353  Sterimol/B1: 3.02413  Sterimol/B2: 3.53098  Sterimol/B3: 6.38313
  Sterimol/B4: 9.94109  Sterimol/L: 18.4745 
 
 Surface and Volume Properties
  Accessible surface: 835.519  Positive charged surface: 547.605  Negative charged surface: 287.915  Volume: 479.375
  Hydrophobic surface: 716.721  Hydrophilic surface: 118.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.