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


PUBCHEM-ZINC06934269

 MMsINC code: MMs03907355
Type: Neutral
Formula: C18H34N4O2
SMILES:   O=C(N1CC(N(CC1)C(=O)NC1CCCCC1)C)C(N)C(CC)C
InChI:   InChI=1/C18H34N4O2/c1-4-13(2)16(19)17(23)21-10-11-22(14(3)12-21)18(24)20-15-8-6-5-7-9-15/h13-16H,4-12,19H2,1-3H3,(H,20,24)/t13-,14+,16-/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)=96.4548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.496 g/mol  logS: -2.44944  SlogP: 1.9348  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.077276  Sterimol/B1: 2.35625  Sterimol/B2: 2.6062  Sterimol/B3: 4.95252
  Sterimol/B4: 8.0033  Sterimol/L: 16.9589 
 
 Surface and Volume Properties
  Accessible surface: 605.091  Positive charged surface: 469.445  Negative charged surface: 135.646  Volume: 350.875
  Hydrophobic surface: 454.77  Hydrophilic surface: 150.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03907356
PUBCHEM-ZINC06934269