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


NCID-ZINC01714627

 MMsINC code: MMs02340742
Type: Neutral
Formula: C10H16O4
SMILES:   OC(=O)C1CC(CCC1)CCC(O)=O
InChI:   InChI=1/C10H16O4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)/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)=5.35027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.234 g/mol  logS: -1.39499  SlogP: 1.7422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691406  Sterimol/B1: 2.44293  Sterimol/B2: 2.9118  Sterimol/B3: 3.00463
  Sterimol/B4: 5.96001  Sterimol/L: 13.9736 
 
 Surface and Volume Properties
  Accessible surface: 400.483  Positive charged surface: 279.147  Negative charged surface: 121.336  Volume: 190.125
  Hydrophobic surface: 211.345  Hydrophilic surface: 189.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02340743
NCID-ZINC01714627