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


NCID-ZINC01598363

 MMsINC code: MMs02251933
Type: Neutral
Formula: C14H24O3
SMILES:   O(C(=O)C1(O)CCCCC1)C1CCC(CC1)C
InChI:   InChI=1/C14H24O3/c1-11-5-7-12(8-6-11)17-13(15)14(16)9-3-2-4-10-14/h11-12,16H,2-10H2,1H3/t11-,12+

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)=38.3606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.343 g/mol  logS: -3.25367  SlogP: 2.8035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114168  Sterimol/B1: 2.20806  Sterimol/B2: 3.08205  Sterimol/B3: 4.1187
  Sterimol/B4: 5.90643  Sterimol/L: 13.4001 
 
 Surface and Volume Properties
  Accessible surface: 467.347  Positive charged surface: 354.526  Negative charged surface: 112.822  Volume: 251.625
  Hydrophobic surface: 397.147  Hydrophilic surface: 70.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.