logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC06005214

 MMsINC code: MMs02515766
Type: Neutral
Formula: C24H31NO10
SMILES:   O1CC2ON(C(C2)C(OC(=O)C)C1C(OC(=O)C)C(OC(=O)C)COC(=O)C)Cc1ccc
cc1
InChI:   InChI=1/C24H31NO10/c1-14(26)30-13-21(32-15(2)27)23(34-17(4)29)24-22(33-16(3)28)20-10-19(12-31-24)35-25(20)11-18-8-6-5-7-9-18/h5-9,19-24H,10-13H2,1-4H3/t19-,20+,21+,22+,23+,24+/m0/s1

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=135.981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 493.509 g/mol  logS: -3.57816  SlogP: 1.5845  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.2875  Sterimol/B1: 3.60262  Sterimol/B2: 3.96078  Sterimol/B3: 6.53431
  Sterimol/B4: 8.62957  Sterimol/L: 16.7113 
 
 Surface and Volume Properties
  Accessible surface: 722.145  Positive charged surface: 442.177  Negative charged surface: 279.968  Volume: 449.375
  Hydrophobic surface: 603.496  Hydrophilic surface: 118.649
 
 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: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.