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


NCID-ZINC05351587

 MMsINC code: MMs02454028
Type: Neutral
Formula: C11H19N3O6
SMILES:   O1C2C(OC(OC2)(C)C)C(NC(=O)N(N=O)C)C1OC
InChI:   InChI=1/C11H19N3O6/c1-11(2)18-5-6-8(20-11)7(9(17-4)19-6)12-10(15)14(3)13-16/h6-9H,5H2,1-4H3,(H,12,15)/t6-,7+,8+,9-/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)=65.7272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.288 g/mol  logS: -1.49703  SlogP: 0.2006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185893  Sterimol/B1: 2.29911  Sterimol/B2: 2.6618  Sterimol/B3: 5.2624
  Sterimol/B4: 7.32005  Sterimol/L: 12.6995 
 
 Surface and Volume Properties
  Accessible surface: 507.382  Positive charged surface: 377.76  Negative charged surface: 129.622  Volume: 254.625
  Hydrophobic surface: 418.288  Hydrophilic surface: 89.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 7  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.