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


NCID-ZINC01629757

 MMsINC code: MMs02275173
Type: Neutral
Formula: C10H12N4O5
SMILES:   O=C1NC(=O)NC(NC(=O)C)=C1N(C(=O)C)C(=O)C
InChI:   InChI=1/C10H12N4O5/c1-4(15)11-8-7(9(18)13-10(19)12-8)14(5(2)16)6(3)17/h1-3H3,(H3,11,12,13,15,18,19)

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)=36.3387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.229 g/mol  logS: -1.4819  SlogP: -1.474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214419  Sterimol/B1: 3.19846  Sterimol/B2: 3.67533  Sterimol/B3: 4.29527
  Sterimol/B4: 7.56065  Sterimol/L: 11.1212 
 
 Surface and Volume Properties
  Accessible surface: 441.167  Positive charged surface: 247.509  Negative charged surface: 193.658  Volume: 219.75
  Hydrophobic surface: 218.384  Hydrophilic surface: 222.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.