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


PUBCHEM-ZINC03624677

 MMsINC code: MMs03025461
Type: Neutral
Formula: C11H18N4O3
SMILES:   O=C1N(C)C(=O)N(C)C(NC(=O)NCCCC)=C1
InChI:   InChI=1/C11H18N4O3/c1-4-5-6-12-10(17)13-8-7-9(16)15(3)11(18)14(8)2/h7H,4-6H2,1-3H3,(H2,12,13,17)

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)=-14.0477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.29 g/mol  logS: -1.61382  SlogP: 0.4509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0354886  Sterimol/B1: 2.86405  Sterimol/B2: 3.12721  Sterimol/B3: 4.06683
  Sterimol/B4: 4.16781  Sterimol/L: 16.7958 
 
 Surface and Volume Properties
  Accessible surface: 492.146  Positive charged surface: 377.204  Negative charged surface: 114.943  Volume: 240.125
  Hydrophobic surface: 329.956  Hydrophilic surface: 162.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.