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


MDPI-ZINC03843336

 MMsINC code: MMs02176778
Type: Neutral
Formula: C10H16O5
SMILES:   O(C(=O)C1CCCCC1C(O)=O)CCO
InChI:   InChI=1/C10H16O5/c11-5-6-15-10(14)8-4-2-1-3-7(8)9(12)13/h7-8,11H,1-6H2,(H,12,13)/t7-,8+/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)=26.7677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.233 g/mol  logS: -0.88779  SlogP: 0.4129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111529  Sterimol/B1: 2.98516  Sterimol/B2: 3.17566  Sterimol/B3: 3.5774
  Sterimol/B4: 5.20972  Sterimol/L: 12.3518 
 
 Surface and Volume Properties
  Accessible surface: 418.703  Positive charged surface: 320.324  Negative charged surface: 98.3793  Volume: 197
  Hydrophobic surface: 275.935  Hydrophilic surface: 142.768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02176779
MDPI-ZINC03843336