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


NCID-ZINC05159200

 MMsINC code: MMs02444911
Type: Neutral
Formula: C10H10N2O7
SMILES:   O1C2N3C(=CC(=O)NC3=O)C(OC2C(O)C1CO)=O
InChI:   InChI=1/C10H10N2O7/c13-2-4-6(15)7-8(18-4)12-3(9(16)19-7)1-5(14)11-10(12)17/h1,4,6-8,13,15H,2H2,(H,11,14,17)/t4-,6+,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)=51.3395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.197 g/mol  logS: -0.93  SlogP: -2.5744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164597  Sterimol/B1: 2.70382  Sterimol/B2: 4.02831  Sterimol/B3: 4.26235
  Sterimol/B4: 4.73411  Sterimol/L: 12.3002 
 
 Surface and Volume Properties
  Accessible surface: 420.486  Positive charged surface: 258.156  Negative charged surface: 162.33  Volume: 206.75
  Hydrophobic surface: 141.216  Hydrophilic surface: 279.27
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.