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NCID-ZINC05808589

 MMsINC code: MMs02498635
Type: Neutral
Formula: C24H26O10
SMILES:   O1C(C2C(C(OC2=O)c2cc(OC)c(OC)c(OC)c2)C1=O)c1cc(OC)c(OC)c(OC)
c1
InChI:   InChI=1/C24H26O10/c1-27-13-7-11(8-14(28-2)21(13)31-5)19-17-18(24(26)33-19)20(34-23(17)25)12-9-15(29-3)22(32-6)16(10-12)30-4/h7-10,17-20H,1-6H3/t17-,18-,19+,20+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.462 g/mol  logS: -4.0556  SlogP: 3.0576  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129485  Sterimol/B1: 2.34239  Sterimol/B2: 2.77077  Sterimol/B3: 6.18868
  Sterimol/B4: 7.55285  Sterimol/L: 19.374 
 
 Surface and Volume Properties
  Accessible surface: 751.972  Positive charged surface: 605.947  Negative charged surface: 146.025  Volume: 425.75
  Hydrophobic surface: 598.07  Hydrophilic surface: 153.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.