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


NCID-ZINC01559491

 MMsINC code: MMs02222249
Type: Neutral
Formula: C10H22N4O2
SMILES:   O=C(NC(C(NC(=O)N)CCC)CCC)N
InChI:   InChI=1/C10H22N4O2/c1-3-5-7(13-9(11)15)8(6-4-2)14-10(12)16/h7-8H,3-6H2,1-2H3,(H3,11,13,15)(H3,12,14,16)/t7-,8+

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)=-28.7677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.312 g/mol  logS: -1.9185  SlogP: 0.6604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127987  Sterimol/B1: 3.18338  Sterimol/B2: 3.55988  Sterimol/B3: 4.3309
  Sterimol/B4: 6.57183  Sterimol/L: 13.2933 
 
 Surface and Volume Properties
  Accessible surface: 472.495  Positive charged surface: 355.196  Negative charged surface: 117.299  Volume: 232.75
  Hydrophobic surface: 215.372  Hydrophilic surface: 257.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.