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


MDPI-ZINC03845287

 MMsINC code: MMs02178591
Type: Neutral
Formula: C10H15N3O2
SMILES:   O=[N+]([O-])c1cc(ccc1CCN)CCN
InChI:   InChI=1/C10H15N3O2/c11-5-3-8-1-2-9(4-6-12)10(7-8)13(14)15/h1-2,7H,3-6,11-12H2

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)=62.5858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.249 g/mol  logS: -1.62789  SlogP: 0.59714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0882273  Sterimol/B1: 2.097  Sterimol/B2: 2.55107  Sterimol/B3: 3.78226
  Sterimol/B4: 6.41207  Sterimol/L: 13.7614 
 
 Surface and Volume Properties
  Accessible surface: 423.734  Positive charged surface: 281.206  Negative charged surface: 142.529  Volume: 201.625
  Hydrophobic surface: 229.081  Hydrophilic surface: 194.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02178592
MDPI-ZINC03845287