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


NCID-ZINC01674132

 MMsINC code: MMs02309823
Type: Neutral
Formula: C3H7N3O2
SMILES:   O=C(N)C(N)C(=O)N
InChI:   InChI=1/C3H7N3O2/c4-1(2(5)7)3(6)8/h1H,4H2,(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)=36.3588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 117.108 g/mol  logS: 0.16098  SlogP: -2.7157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21702  Sterimol/B1: 2.52125  Sterimol/B2: 3.25651  Sterimol/B3: 3.27699
  Sterimol/B4: 4.52045  Sterimol/L: 7.74043 
 
 Surface and Volume Properties
  Accessible surface: 270.878  Positive charged surface: 175.592  Negative charged surface: 95.2861  Volume: 99.25
  Hydrophobic surface: 15.9036  Hydrophilic surface: 254.9744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.