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


CHEMDIV-ZINC06793933

 MMsINC code: MMs01024599
Type: Neutral
Formula: C24H27ClN2O2
SMILES:   Clc1ccc(cc1)Cn1c2c(cccc2)c(CNC2CCCCCC2)c1C(O)=O
InChI:   InChI=1/C24H27ClN2O2/c25-18-13-11-17(12-14-18)16-27-22-10-6-5-9-20(22)21(23(27)24(28)29)15-26-19-7-3-1-2-4-8-19/h5-6,9-14,19,26H,1-4,7-8,15-16H2,(H,28,29)

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)=74.4758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.945 g/mol  logS: -5.92016  SlogP: 6.3864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772185  Sterimol/B1: 2.4648  Sterimol/B2: 3.72993  Sterimol/B3: 4.85452
  Sterimol/B4: 9.01067  Sterimol/L: 18.2267 
 
 Surface and Volume Properties
  Accessible surface: 666.371  Positive charged surface: 389.497  Negative charged surface: 272.158  Volume: 400.125
  Hydrophobic surface: 573.961  Hydrophilic surface: 92.41
 
 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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.