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CHEMBRIDGE-ZINC00948976

 MMsINC code: MMs00647399
Type: Neutral
Formula: C27H24O8
SMILES:   O1C=C(Oc2cc(ccc2C)C)C(=O)c2c1cc(OC(=O)c1cc(OC)c(OC)c(OC)c1)c
c2
InChI:   InChI=1/C27H24O8/c1-15-6-7-16(2)20(10-15)35-24-14-33-21-13-18(8-9-19(21)25(24)28)34-27(29)17-11-22(30-3)26(32-5)23(12-17)31-4/h6-14H,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=173.112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.481 g/mol  logS: -7.20012  SlogP: 5.04394  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0390762  Sterimol/B1: 3.24395  Sterimol/B2: 3.35766  Sterimol/B3: 5.08748
  Sterimol/B4: 8.43334  Sterimol/L: 22.3892 
 
 Surface and Volume Properties
  Accessible surface: 794.474  Positive charged surface: 538.004  Negative charged surface: 256.47  Volume: 439.375
  Hydrophobic surface: 704.093  Hydrophilic surface: 90.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.