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


PUBCHEM-ZINC02021708

 MMsINC code: MMs02856796
Type: Neutral
Formula: C10H12Cl2N2
SMILES:   Clc1cc(ccc1Cl)C1NCCN1C
InChI:   InChI=1/C10H12Cl2N2/c1-14-5-4-13-10(14)7-2-3-8(11)9(12)6-7/h2-3,6,10,13H,4-5H2,1H3/t10-/m1/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)=50.942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.126 g/mol  logS: -2.52142  SlogP: 2.6225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215823  Sterimol/B1: 2.26466  Sterimol/B2: 3.53037  Sterimol/B3: 4.71358
  Sterimol/B4: 5.31819  Sterimol/L: 11.9799 
 
 Surface and Volume Properties
  Accessible surface: 407.41  Positive charged surface: 238.831  Negative charged surface: 168.579  Volume: 205.625
  Hydrophobic surface: 373.954  Hydrophilic surface: 33.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.