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


PUBCHEM-ZINC03699290

 MMsINC code: MMs03047872
Type: Neutral
Formula: C19H22Cl2N2O
SMILES:   Clc1cc(ccc1Cl)C(N1CCCNCC1)c1cc(OC)ccc1
InChI:   InChI=1/C19H22Cl2N2O/c1-24-16-5-2-4-14(12-16)19(23-10-3-8-22-9-11-23)15-6-7-17(20)18(21)13-15/h2,4-7,12-13,19,22H,3,8-11H2,1H3/t19-/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)=104.87 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.304 g/mol  logS: -4.66074  SlogP: 4.4822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178626  Sterimol/B1: 3.34647  Sterimol/B2: 4.96531  Sterimol/B3: 5.31717
  Sterimol/B4: 8.40874  Sterimol/L: 14.2319 
 
 Surface and Volume Properties
  Accessible surface: 581.422  Positive charged surface: 369.18  Negative charged surface: 212.241  Volume: 340.75
  Hydrophobic surface: 543.832  Hydrophilic surface: 37.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03047873
PUBCHEM-ZINC03699290