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


ACROSORGANICS-ZINC01235985

 MMsINC code: MMs00008689
Type: Neutral
Formula: C4H8N2O2
SMILES:   O=C(N)CCC(=O)N
InChI:   InChI=1/C4H8N2O2/c5-3(7)1-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)

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)=-8.05516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 116.12 g/mol  logS: 0.0885  SlogP: -1.2628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375823  Sterimol/B1: 2.3749  Sterimol/B2: 2.37528  Sterimol/B3: 2.95545
  Sterimol/B4: 3.83174  Sterimol/L: 10.3503 
 
 Surface and Volume Properties
  Accessible surface: 290.633  Positive charged surface: 202.563  Negative charged surface: 88.0704  Volume: 107.125
  Hydrophobic surface: 69.6523  Hydrophilic surface: 220.9807
 
 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: no related molecules available.