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


ENAMINE-ZINC01518057

 MMsINC code: MMs01242551
Type: Neutral
Formula: C24H27ClN2O
SMILES:   Clc1ccc(NC(=O)NC23CC4(CC(C2)CC(C4)C3)c2ccc(cc2)C)cc1
InChI:   InChI=1/C24H27ClN2O/c1-16-2-4-19(5-3-16)23-11-17-10-18(12-23)14-24(13-17,15-23)27-22(28)26-21-8-6-20(25)7-9-21/h2-9,17-18H,10-15H2,1H3,(H2,26,27,28)/t17-,18+,23+,24-

Download   format file 
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)=92.113 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.946 g/mol  logS: -6.96504  SlogP: 6.06052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0492625  Sterimol/B1: 2.682  Sterimol/B2: 3.5157  Sterimol/B3: 3.97157
  Sterimol/B4: 7.12751  Sterimol/L: 20.9133 
 
 Surface and Volume Properties
  Accessible surface: 650.022  Positive charged surface: 395.815  Negative charged surface: 254.206  Volume: 381.75
  Hydrophobic surface: 603.373  Hydrophilic surface: 46.649
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.