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


NCID-ZINC05004259

 MMsINC code: MMs02426504
Type: Neutral
Formula: C17H28O7
SMILES:   O(C(=O)C(C(C(C(=O)C)C(OCC)=O)CCCCO)C(=O)C)CC
InChI:   InChI=1/C17H28O7/c1-5-23-16(21)14(11(3)19)13(9-7-8-10-18)15(12(4)20)17(22)24-6-2/h13-15,18H,5-10H2,1-4H3/t14-,15-/m1/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)=64.5126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.404 g/mol  logS: -2.04423  SlogP: 1.3018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232193  Sterimol/B1: 4.41645  Sterimol/B2: 4.53588  Sterimol/B3: 5.26799
  Sterimol/B4: 8.12503  Sterimol/L: 16.6985 
 
 Surface and Volume Properties
  Accessible surface: 631.603  Positive charged surface: 439.78  Negative charged surface: 191.823  Volume: 334.875
  Hydrophobic surface: 441.754  Hydrophilic surface: 189.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.