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


PUBCHEM-ZINC04600266

 MMsINC code: MMs03140294
Type: Neutral
Formula: C15H27NO4
SMILES:   O(CCCC)CCCNC(=O)C1CCCCC1C(O)=O
InChI:   InChI=1/C15H27NO4/c1-2-3-10-20-11-6-9-16-14(17)12-7-4-5-8-13(12)15(18)19/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19)/t12-,13-/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)=10.5492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.384 g/mol  logS: -2.24334  SlogP: 2.2004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0221385  Sterimol/B1: 2.57228  Sterimol/B2: 3.26742  Sterimol/B3: 4.01015
  Sterimol/B4: 5.84836  Sterimol/L: 19.585 
 
 Surface and Volume Properties
  Accessible surface: 589.867  Positive charged surface: 464.503  Negative charged surface: 125.364  Volume: 293.375
  Hydrophobic surface: 453.163  Hydrophilic surface: 136.704
 
 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


MMs03140295
PUBCHEM-ZINC04600266