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


NCID-ZINC01583655

 MMsINC code: MMs02240478
Type: Tautomer
Formula: C15H23ClN2
SMILES:   Clc1ccccc1C(N(CCCC)CCCC)=N
InChI:   InChI=1/C15H23ClN2/c1-3-5-11-18(12-6-4-2)15(17)13-9-7-8-10-14(13)16/h7-10,17H,3-6,11-12H2,1-2H3/b17-15-

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)=50.3675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.816 g/mol  logS: -4.44847  SlogP: 4.56757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149829  Sterimol/B1: 2.94732  Sterimol/B2: 3.50648  Sterimol/B3: 5.02985
  Sterimol/B4: 7.13269  Sterimol/L: 13.9974 
 
 Surface and Volume Properties
  Accessible surface: 525.4  Positive charged surface: 338.496  Negative charged surface: 186.904  Volume: 283.5
  Hydrophobic surface: 436.403  Hydrophilic surface: 88.997
 
 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:  
   
Parent related molecule:


MMs02240477
NCID-ZINC01583655