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


PUBCHEM-ZINC00971643

 MMsINC code: MMs02746739
Type: Neutral
Formula: C18H16Cl2N2O
SMILES:   Clc1ccc(cc1)C(OC(n1ccnc1)C)c1ccc(Cl)cc1
InChI:   InChI=1/C18H16Cl2N2O/c1-13(22-11-10-21-12-22)23-18(14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15/h2-13,18H,1H3/t13-/m0/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)=60.324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.245 g/mol  logS: -5.23807  SlogP: 5.7056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.257874  Sterimol/B1: 2.13786  Sterimol/B2: 2.36292  Sterimol/B3: 5.76194
  Sterimol/B4: 9.89186  Sterimol/L: 15.2053 
 
 Surface and Volume Properties
  Accessible surface: 581.146  Positive charged surface: 285.834  Negative charged surface: 295.312  Volume: 318.5
  Hydrophobic surface: 527.212  Hydrophilic surface: 53.934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.