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NCID-ZINC01658457

 MMsINC code: MMs02296373
Type: Neutral
Formula: C30H34O6
SMILES:   O1c2c(C(=O)C(CC=C(C)C)=C1c1ccc(O)cc1O)c(O)c(CC=C(C)C)c(O)c2C
C=C(C)C
InChI:   InChI=1/C30H34O6/c1-16(2)7-11-21-26(33)22(12-8-17(3)4)30-25(27(21)34)28(35)23(13-9-18(5)6)29(36-30)20-14-10-19(31)15-24(20)32/h7-10,14-15,31-34H,11-13H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.596 g/mol  logS: -8.41405  SlogP: 6.86904  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.111929  Sterimol/B1: 2.45941  Sterimol/B2: 3.67495  Sterimol/B3: 4.47971
  Sterimol/B4: 11.5482  Sterimol/L: 16.4535 
 
 Surface and Volume Properties
  Accessible surface: 811.501  Positive charged surface: 544.648  Negative charged surface: 266.853  Volume: 489.625
  Hydrophobic surface: 632.232  Hydrophilic surface: 179.269
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.