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


PUBCHEM-ZINC03869238

 MMsINC code: MMs03078349
Type: Neutral
Formula: C5H12N2O2
SMILES:   OC(=O)C(N)CC(N)C
InChI:   InChI=1/C5H12N2O2/c1-3(6)2-4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9)/t3-,4-/m1/s1

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)=19.7437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.163 g/mol  logS: 0.50192  SlogP: -0.8644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247354  Sterimol/B1: 2.32715  Sterimol/B2: 2.56547  Sterimol/B3: 3.84635
  Sterimol/B4: 4.54185  Sterimol/L: 9.67899 
 
 Surface and Volume Properties
  Accessible surface: 315.154  Positive charged surface: 218.264  Negative charged surface: 96.8905  Volume: 130.875
  Hydrophobic surface: 93.3281  Hydrophilic surface: 221.8259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03078350
PUBCHEM-ZINC03869238