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


NCID-ZINC01595601

 MMsINC code: MMs02249876
Type: Neutral
Formula: C14H24O4
SMILES:   O(C(=O)C(CC(=O)C(CC(=O)C(C)C)C)C)CC
InChI:   InChI=1/C14H24O4/c1-6-18-14(17)11(5)8-13(16)10(4)7-12(15)9(2)3/h9-11H,6-8H2,1-5H3/t10-,11+/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)=28.1024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -1.33074  SlogP: 2.3961  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0521769  Sterimol/B1: 2.51634  Sterimol/B2: 3.51337  Sterimol/B3: 4.15897
  Sterimol/B4: 4.47182  Sterimol/L: 18.0049 
 
 Surface and Volume Properties
  Accessible surface: 543.164  Positive charged surface: 382.685  Negative charged surface: 160.479  Volume: 269.75
  Hydrophobic surface: 376.291  Hydrophilic surface: 166.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.