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


PUBCHEM-ZINC06692035

 MMsINC code: MMs03839621
Type: Neutral
Formula: C19H23ClN2O3
SMILES:   Clc1cc(ccc1)C1NC(=O)NC(=C)C1C(OCC1CCCCC1)=O
InChI:   InChI=1/C19H23ClN2O3/c1-12-16(18(23)25-11-13-6-3-2-4-7-13)17(22-19(24)21-12)14-8-5-9-15(20)10-14/h5,8-10,13,16-17H,1-4,6-7,11H2,(H2,21,22,24)/t16-,17-/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)=36.6025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.857 g/mol  logS: -5.15616  SlogP: 4.0428  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.14596  Sterimol/B1: 2.24111  Sterimol/B2: 2.38303  Sterimol/B3: 5.83263
  Sterimol/B4: 9.21035  Sterimol/L: 14.2588 
 
 Surface and Volume Properties
  Accessible surface: 579.896  Positive charged surface: 356.09  Negative charged surface: 223.806  Volume: 338.125
  Hydrophobic surface: 437.523  Hydrophilic surface: 142.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.