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


PUBCHEM-ZINC06882535

 MMsINC code: MMs03886395
Type: Neutral
Formula: C11H15Cl2N
SMILES:   Clc1cc(ccc1Cl)CNC(C)(C)C
InChI:   InChI=1/C11H15Cl2N/c1-11(2,3)14-7-8-4-5-9(12)10(13)6-8/h4-6,14H,7H2,1-3H3

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)=36.0701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.154 g/mol  logS: -3.57559  SlogP: 4.1479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111719  Sterimol/B1: 2.42418  Sterimol/B2: 2.54142  Sterimol/B3: 4.1553
  Sterimol/B4: 5.93311  Sterimol/L: 13.4751 
 
 Surface and Volume Properties
  Accessible surface: 448.17  Positive charged surface: 215.816  Negative charged surface: 232.354  Volume: 220.625
  Hydrophobic surface: 375.25  Hydrophilic surface: 72.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs03886396
PUBCHEM-ZINC06882535