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


PUBCHEM-ZINC02015659

 MMsINC code: MMs02851927
Type: Neutral
Formula: C20H25ClN2
SMILES:   Clc1cc2N(c3c(CCc2cc1)cccc3)CC(CN(C)C)C
InChI:   InChI=1/C20H25ClN2/c1-15(13-22(2)3)14-23-19-7-5-4-6-16(19)8-9-17-10-11-18(21)12-20(17)23/h4-7,10-12,15H,8-9,13-14H2,1-3H3/t15-/m0/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)=106.515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.887 g/mol  logS: -4.39077  SlogP: 4.77434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.249945  Sterimol/B1: 2.28049  Sterimol/B2: 2.98186  Sterimol/B3: 5.46903
  Sterimol/B4: 8.99187  Sterimol/L: 13.2199 
 
 Surface and Volume Properties
  Accessible surface: 571.843  Positive charged surface: 378.419  Negative charged surface: 193.424  Volume: 337.25
  Hydrophobic surface: 556.311  Hydrophilic surface: 15.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs02851928
PUBCHEM-ZINC02015659