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


NCID-ZINC05853806

 MMsINC code: MMs02508362
Type: Neutral
Formula: C10H13N3O5
SMILES:   O1C(C(O)=O)C(N)CC1N1C=C(C)C(=O)NC1=O
InChI:   InChI=1/C10H13N3O5/c1-4-3-13(10(17)12-8(4)14)6-2-5(11)7(18-6)9(15)16/h3,5-7H,2,11H2,1H3,(H,15,16)(H,12,14,17)/t5-,6-,7-/m1/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)=11.4361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.23 g/mol  logS: -0.38519  SlogP: -1.0311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11074  Sterimol/B1: 2.86747  Sterimol/B2: 3.20644  Sterimol/B3: 3.68364
  Sterimol/B4: 4.9181  Sterimol/L: 13.4707 
 
 Surface and Volume Properties
  Accessible surface: 443.165  Positive charged surface: 282.983  Negative charged surface: 160.182  Volume: 213.5
  Hydrophobic surface: 180.729  Hydrophilic surface: 262.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.