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


IBS-ZINC01019238

 MMsINC code: MMs01760292
Type: Neutral
Formula: C23H24Cl2N2O
SMILES:   Clc1cc(Cl)ccc1C1Nc2c(cc(cc2)C(=O)N(CC)CC)C2C1CC=C2
InChI:   InChI=1/C23H24Cl2N2O/c1-3-27(4-2)23(28)14-8-11-21-19(12-14)16-6-5-7-17(16)22(26-21)18-10-9-15(24)13-20(18)25/h5-6,8-13,16-17,22,26H,3-4,7H2,1-2H3/t16-,17+,22+/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)=104.003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.364 g/mol  logS: -5.78372  SlogP: 6.3974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166118  Sterimol/B1: 4.74735  Sterimol/B2: 4.79661  Sterimol/B3: 5.26375
  Sterimol/B4: 7.32211  Sterimol/L: 16.5892 
 
 Surface and Volume Properties
  Accessible surface: 636.428  Positive charged surface: 340.119  Negative charged surface: 296.309  Volume: 388.375
  Hydrophobic surface: 523.134  Hydrophilic surface: 113.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.