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


PUBCHEM-ZINC06036595

 MMsINC code: MMs03506493
Type: Neutral
Formula: C14H35N5O2
SMILES:   OC(CNCCNCCNCCNCCNCC(O)C)C
InChI:   InChI=1/C14H35N5O2/c1-13(20)11-18-9-7-16-5-3-15-4-6-17-8-10-19-12-14(2)21/h13-21H,3-12H2,1-2H3/t13-,14-/m1/s1

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)=46.7306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.467 g/mol  logS: 1.32542  SlogP: -2.304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.011136  Sterimol/B1: 2.51575  Sterimol/B2: 2.53604  Sterimol/B3: 3.61169
  Sterimol/B4: 3.65638  Sterimol/L: 26.7832 
 
 Surface and Volume Properties
  Accessible surface: 712.518  Positive charged surface: 607.235  Negative charged surface: 105.283  Volume: 336
  Hydrophobic surface: 488.094  Hydrophilic surface: 224.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03506494
PUBCHEM-ZINC06036595