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


PUBCHEM-ZINC00278058

 MMsINC code: MMs02649327
Type: Neutral
Formula: C13H20Cl2N2
SMILES:   Clc1cc(ccc1Cl)CN(CCN(C)C)CC
InChI:   InChI=1/C13H20Cl2N2/c1-4-17(8-7-16(2)3)10-11-5-6-12(14)13(15)9-11/h5-6,9H,4,7-8,10H2,1-3H3

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)=56.0817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.223 g/mol  logS: -2.95001  SlogP: 3.6433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155899  Sterimol/B1: 2.41363  Sterimol/B2: 3.99784  Sterimol/B3: 4.11935
  Sterimol/B4: 8.97757  Sterimol/L: 12.9991 
 
 Surface and Volume Properties
  Accessible surface: 509.375  Positive charged surface: 324.391  Negative charged surface: 184.984  Volume: 268.5
  Hydrophobic surface: 479.176  Hydrophilic surface: 30.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02649328
PUBCHEM-ZINC00278058