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


PUBCHEM-ZINC06482412

 MMsINC code: MMs03758754
Type: Neutral
Formula: C15H24O4
SMILES:   OC1CCC(CC1C(OC)=O)C(=O)C1CCCCC1
InChI:   InChI=1/C15H24O4/c1-19-15(18)12-9-11(7-8-13(12)16)14(17)10-5-3-2-4-6-10/h10-13,16H,2-9H2,1H3/t11-,12-,13+/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)=34.6045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.353 g/mol  logS: -2.24915  SlogP: 2.086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0539792  Sterimol/B1: 2.72477  Sterimol/B2: 2.95109  Sterimol/B3: 3.37736
  Sterimol/B4: 5.93219  Sterimol/L: 16.4039 
 
 Surface and Volume Properties
  Accessible surface: 508.391  Positive charged surface: 401.136  Negative charged surface: 107.254  Volume: 267.125
  Hydrophobic surface: 416.707  Hydrophilic surface: 91.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.