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


AURORAFEINCHEMIE-ZINC01902139

MMsINC code: MMs00449240

Type: Neutral
Formula: C24H32ClNO
SMILES:   Clc1ccc(cc1)C(NCCC1(CC(OCC1)(C)C)c1ccc(cc1)C)C
InChI:   InChI=1/C24H32ClNO/c1-18-5-9-21(10-6-18)24(14-16-27-23(3,4)17-24)13-15-26-19(2)20-7-11-22(25)12-8-20/h5-12,19,26H,13-17H2,1-4H3/t19-,24-/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)=174.111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.979 g/mol  logS: -5.7905  SlogP: 6.31162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163027  Sterimol/B1: 2.34947  Sterimol/B2: 3.64984  Sterimol/B3: 4.33246
  Sterimol/B4: 9.93842  Sterimol/L: 17.4967 
 
 Surface and Volume Properties
  Accessible surface: 671.527  Positive charged surface: 401.64  Negative charged surface: 269.886  Volume: 398.125
  Hydrophobic surface: 604.361  Hydrophilic surface: 67.166
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00449241
AURORAFEINCHEMIE-ZINC01902139