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


NCID-ZINC03953840

 MMsINC code: MMs02382072
Type: Neutral
Formula: C10H15N5
SMILES:   [nH]1ncc2c1ncnc2NCCC(C)C
InChI:   InChI=1/C10H15N5/c1-7(2)3-4-11-9-8-5-14-15-10(8)13-6-12-9/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14,15)

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)=29.0714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.265 g/mol  logS: -3.0021  SlogP: 1.8109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.039569  Sterimol/B1: 2.41384  Sterimol/B2: 3.59326  Sterimol/B3: 3.66778
  Sterimol/B4: 5.20703  Sterimol/L: 14.2209 
 
 Surface and Volume Properties
  Accessible surface: 434.683  Positive charged surface: 334.667  Negative charged surface: 93.6684  Volume: 205.75
  Hydrophobic surface: 251.122  Hydrophilic surface: 183.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.