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


IBS-ZINC06764303

 MMsINC code: MMs01971652
Type: Neutral
Formula: C23H25ClN2O3
SMILES:   Clc1ccc(cc1)C=1C(=O)c2c(OC=1C)cc(OCCN1CCN(CC1)C)cc2
InChI:   InChI=1/C23H25ClN2O3/c1-16-22(17-3-5-18(24)6-4-17)23(27)20-8-7-19(15-21(20)29-16)28-14-13-26-11-9-25(2)10-12-26/h3-8,15H,9-14H2,1-2H3

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)=129.463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.917 g/mol  logS: -5.29473  SlogP: 3.9725  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0597469  Sterimol/B1: 2.46687  Sterimol/B2: 2.59562  Sterimol/B3: 5.8699
  Sterimol/B4: 6.50925  Sterimol/L: 21.8316 
 
 Surface and Volume Properties
  Accessible surface: 705.763  Positive charged surface: 471.799  Negative charged surface: 233.964  Volume: 393.625
  Hydrophobic surface: 665.346  Hydrophilic surface: 40.417
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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:  
   

Ions/Tautomers related molecules


MMs01971653
IBS-ZINC06764303