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


PUBCHEM-ZINC02851615

 MMsINC code: MMs02938663
Type: Neutral
Formula: C10H21N3O2
SMILES:   O=C(NCC(C)C)C(=O)NCCN(C)C
InChI:   InChI=1/C10H21N3O2/c1-8(2)7-12-10(15)9(14)11-5-6-13(3)4/h8H,5-7H2,1-4H3,(H,11,14)(H,12,15)

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)=40.4452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.297 g/mol  logS: -0.56432  SlogP: -0.5636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0353022  Sterimol/B1: 2.66119  Sterimol/B2: 2.95794  Sterimol/B3: 3.75166
  Sterimol/B4: 3.87425  Sterimol/L: 16.9058 
 
 Surface and Volume Properties
  Accessible surface: 488.469  Positive charged surface: 392.923  Negative charged surface: 95.5467  Volume: 227.25
  Hydrophobic surface: 345.074  Hydrophilic surface: 143.395
 
 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


MMs02938664
PUBCHEM-ZINC02851615