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


ASINEX-ZINC04968677

 MMsINC code: MMs00417748
Type: Neutral
Formula: C14H29N3O
SMILES:   O=C(N(C(C)C)C(C)C)C(N1CCN(CC1)C)C
InChI:   InChI=1/C14H29N3O/c1-11(2)17(12(3)4)14(18)13(5)16-9-7-15(6)8-10-16/h11-13H,7-10H2,1-6H3/t13-/m0/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)=107.035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.406 g/mol  logS: -1.23779  SlogP: 1.2677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128739  Sterimol/B1: 2.34048  Sterimol/B2: 2.5283  Sterimol/B3: 4.86278
  Sterimol/B4: 6.18093  Sterimol/L: 13.6563 
 
 Surface and Volume Properties
  Accessible surface: 500.889  Positive charged surface: 403.836  Negative charged surface: 97.0536  Volume: 284.75
  Hydrophobic surface: 400.399  Hydrophilic surface: 100.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00417749
ASINEX-ZINC04968677