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


VITASM-ZINC04723313

 MMsINC code: MMs03960495
Type: Neutral
Formula: C14H20ClNO3
SMILES:   Clc1cc(cc(OC)c1OCCC)C(=O)NCCC
InChI:   InChI=1/C14H20ClNO3/c1-4-6-16-14(17)10-8-11(15)13(19-7-5-2)12(9-10)18-3/h8-9H,4-7H2,1-3H3,(H,16,17)

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)=52.3056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.771 g/mol  logS: -3.42402  SlogP: 3.2772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0278138  Sterimol/B1: 2.74922  Sterimol/B2: 3.59997  Sterimol/B3: 3.96651
  Sterimol/B4: 6.46392  Sterimol/L: 17.6977 
 
 Surface and Volume Properties
  Accessible surface: 556.937  Positive charged surface: 382.076  Negative charged surface: 174.861  Volume: 277.875
  Hydrophobic surface: 458.982  Hydrophilic surface: 97.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.