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


PUBCHEM-ZINC03608902

 MMsINC code: MMs03021073
Type: Neutral
Formula: C15H29NO3
SMILES:   O1CCN(CC1)CCOC(=O)C(CC(C)(C)C)(C)C
InChI:   InChI=1/C15H29NO3/c1-14(2,3)12-15(4,5)13(17)19-11-8-16-6-9-18-10-7-16/h6-12H2,1-5H3

Download   format file 
Drug Similarity  |  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)=139.415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.401 g/mol  logS: -2.86163  SlogP: 2.3242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153193  Sterimol/B1: 2.48898  Sterimol/B2: 3.83111  Sterimol/B3: 4.20455
  Sterimol/B4: 6.30085  Sterimol/L: 14.3045 
 
 Surface and Volume Properties
  Accessible surface: 518.646  Positive charged surface: 412.173  Negative charged surface: 106.473  Volume: 290
  Hydrophobic surface: 414.436  Hydrophilic surface: 104.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs03021074
PUBCHEM-ZINC03608902