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


MDPI-ZINC03843333

 MMsINC code: MMs02176772
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+/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)=26.6532 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: 0.153432  Sterimol/B1: 2.50722  Sterimol/B2: 3.10062  Sterimol/B3: 4.14193
  Sterimol/B4: 6.60707  Sterimol/L: 11.4011 
 
 Surface and Volume Properties
  Accessible surface: 417.859  Positive charged surface: 315.88  Negative charged surface: 101.979  Volume: 199.125
  Hydrophobic surface: 269.024  Hydrophilic surface: 148.835
 
 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


MMs02176773
MDPI-ZINC03843333