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


PUBCHEM-ZINC00397448

 MMsINC code: MMs02674124
Type: Neutral
Formula: C14H10Cl2N2O3
SMILES:   Clc1c(NC(=O)Nc2ccc(cc2)C(O)=O)cccc1Cl
InChI:   InChI=1/C14H10Cl2N2O3/c15-10-2-1-3-11(12(10)16)18-14(21)17-9-6-4-8(5-7-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)

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)=67.5383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.151 g/mol  logS: -4.69003  SlogP: 4.3356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0303165  Sterimol/B1: 2.097  Sterimol/B2: 2.43921  Sterimol/B3: 4.13359
  Sterimol/B4: 6.03119  Sterimol/L: 17.0872 
 
 Surface and Volume Properties
  Accessible surface: 521.265  Positive charged surface: 235.8  Negative charged surface: 285.465  Volume: 264.125
  Hydrophobic surface: 374.836  Hydrophilic surface: 146.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02674125
PUBCHEM-ZINC00397448