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


ASINEX-ZINC02054620

 MMsINC code: MMs00261308
Type: Neutral
Formula: C10H13Cl3N2O3
SMILES:   ClC(Cl)(Cl)C(NC(=O)c1occc1)NCCOC
InChI:   InChI=1/C10H13Cl3N2O3/c1-17-6-4-14-9(10(11,12)13)15-8(16)7-3-2-5-18-7/h2-3,5,9,14H,4,6H2,1H3,(H,15,16)/t9-/m1/s1

Download   format file 
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)=47.1634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.584 g/mol  logS: -3.48065  SlogP: 2.3616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0914125  Sterimol/B1: 2.42402  Sterimol/B2: 3.17695  Sterimol/B3: 4.1879
  Sterimol/B4: 6.91275  Sterimol/L: 15.0063 
 
 Surface and Volume Properties
  Accessible surface: 518.688  Positive charged surface: 250.939  Negative charged surface: 267.749  Volume: 256.625
  Hydrophobic surface: 313.657  Hydrophilic surface: 205.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.