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


PUBCHEM-ZINC00749153

 MMsINC code: MMs02737121
Type: Neutral
Formula: C24H23Cl2N5O2
SMILES:   Clc1cc(NC(=O)Nc2cc(C(=O)NCc3cccnc3)c(N3CCCC3)cc2)ccc1Cl
InChI:   InChI=1/C24H23Cl2N5O2/c25-20-7-5-18(13-21(20)26)30-24(33)29-17-6-8-22(31-10-1-2-11-31)19(12-17)23(32)28-15-16-4-3-9-27-14-16/h3-9,12-14H,1-2,10-11,15H2,(H,28,32)(H2,29,30,33)

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)=161.82 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.387 g/mol  logS: -5.85631  SlogP: 5.829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0648964  Sterimol/B1: 2.71218  Sterimol/B2: 3.20798  Sterimol/B3: 5.3991
  Sterimol/B4: 12.43  Sterimol/L: 18.8944 
 
 Surface and Volume Properties
  Accessible surface: 772.323  Positive charged surface: 472.617  Negative charged surface: 299.706  Volume: 433.375
  Hydrophobic surface: 647.747  Hydrophilic surface: 124.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.