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


NCID-ZINC05579255

 MMsINC code: MMs02477525
Type: Neutral
Formula: C11H16N4O6
SMILES:   O1C(CO)C(NC(=O)NO)CC1N1C=C(C)C(=O)NC1=O
InChI:   InChI=1/C11H16N4O6/c1-5-3-15(11(19)13-9(5)17)8-2-6(7(4-16)21-8)12-10(18)14-20/h3,6-8,16,20H,2,4H2,1H3,(H2,12,14,18)(H,13,17,19)/t6-,7-,8+/m0/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)=40.6621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.271 g/mol  logS: -0.41862  SlogP: -1.3937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0808396  Sterimol/B1: 2.53517  Sterimol/B2: 4.07505  Sterimol/B3: 4.63874
  Sterimol/B4: 6.23489  Sterimol/L: 15.0901 
 
 Surface and Volume Properties
  Accessible surface: 498.566  Positive charged surface: 320.355  Negative charged surface: 178.211  Volume: 248.125
  Hydrophobic surface: 190.103  Hydrophilic surface: 308.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.