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


NCID-ZINC01753808

 MMsINC code: MMs02363547
Type: Neutral
Formula: C14H18ClNO5
SMILES:   Clc1cc(NC(OCC2OCCC2)=O)c(OC)cc1OC
InChI:   InChI=1/C14H18ClNO5/c1-18-12-7-13(19-2)11(6-10(12)15)16-14(17)21-8-9-4-3-5-20-9/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)/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)=74.7633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.753 g/mol  logS: -3.19386  SlogP: 3.0847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217615  Sterimol/B1: 2.53784  Sterimol/B2: 3.03677  Sterimol/B3: 3.29529
  Sterimol/B4: 8.67182  Sterimol/L: 17.9152 
 
 Surface and Volume Properties
  Accessible surface: 565.834  Positive charged surface: 416.591  Negative charged surface: 149.243  Volume: 283.125
  Hydrophobic surface: 485.558  Hydrophilic surface: 80.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.