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NCID-ZINC05339418

 MMsINC code: MMs02452443
Type: Neutral
Formula: C24H30O12
SMILES:   O1C(C(OC(=O)C)COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OCc1c
cccc1
InChI:   InChI=1/C24H30O12/c1-13(25)30-12-19(32-14(2)26)20-21(33-15(3)27)22(34-16(4)28)23(35-17(5)29)24(36-20)31-11-18-9-7-6-8-10-18/h6-10,19-24H,11-12H2,1-5H3/t19-,20-,21+,22+,23+,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.0206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 510.492 g/mol  logS: -3.75094  SlogP: 1.4844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200509  Sterimol/B1: 2.40498  Sterimol/B2: 4.37215  Sterimol/B3: 4.9311
  Sterimol/B4: 13.9548  Sterimol/L: 17.1552 
 
 Surface and Volume Properties
  Accessible surface: 809.668  Positive charged surface: 494.753  Negative charged surface: 314.915  Volume: 463.125
  Hydrophobic surface: 662.083  Hydrophilic surface: 147.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.