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


PUBCHEM-ZINC01850156

 MMsINC code: MMs02825453
Type: Neutral
Formula: C8H14N4O7
SMILES:   O=C1N(CO)C(=O)N(CO)C1N(C(=O)NCO)CO
InChI:   InChI=1/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18)/t5-/m0/s1

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)=-53.3684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.221 g/mol  logS: 2.27113  SlogP: -3.6125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.351037  Sterimol/B1: 2.12187  Sterimol/B2: 4.06409  Sterimol/B3: 4.96344
  Sterimol/B4: 6.31929  Sterimol/L: 12.204 
 
 Surface and Volume Properties
  Accessible surface: 460.128  Positive charged surface: 341.533  Negative charged surface: 118.595  Volume: 221.75
  Hydrophobic surface: 143.58  Hydrophilic surface: 316.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.