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


NCID-ZINC05217289

 MMsINC code: MMs02449755
Type: Neutral
Formula: C10H15ClN4O3
SMILES:   Clc1ncnc(NC2C(O)C(OC2OC)C)c1N
InChI:   InChI=1/C10H15ClN4O3/c1-4-7(16)6(10(17-2)18-4)15-9-5(12)8(11)13-3-14-9/h3-4,6-7,10,16H,12H2,1-2H3,(H,13,14,15)/t4-,6-,7-,10+/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)=91.531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.708 g/mol  logS: -1.60141  SlogP: 0.2448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170859  Sterimol/B1: 3.16662  Sterimol/B2: 3.69447  Sterimol/B3: 4.03108
  Sterimol/B4: 5.90058  Sterimol/L: 13.5859 
 
 Surface and Volume Properties
  Accessible surface: 479.524  Positive charged surface: 341.172  Negative charged surface: 138.352  Volume: 237.75
  Hydrophobic surface: 293.355  Hydrophilic surface: 186.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.