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


IBS-ZINC06671925

 MMsINC code: MMs01965947
Type: Tautomer
Formula: C24H26ClFN2
SMILES:   Clc1ccc(cc1)C(CCNCc1ccc(N(C)C)cc1)c1ccc(F)cc1
InChI:   InChI=1/C24H26ClFN2/c1-28(2)23-13-3-18(4-14-23)17-27-16-15-24(19-5-9-21(25)10-6-19)20-7-11-22(26)12-8-20/h3-14,24,27H,15-17H2,1-2H3/t24-/m1/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)=101.794 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.937 g/mol  logS: -5.75566  SlogP: 6.1233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082667  Sterimol/B1: 2.74267  Sterimol/B2: 5.45938  Sterimol/B3: 6.16594
  Sterimol/B4: 6.5274  Sterimol/L: 18.9775 
 
 Surface and Volume Properties
  Accessible surface: 714.414  Positive charged surface: 433.186  Negative charged surface: 281.228  Volume: 396.125
  Hydrophobic surface: 693.641  Hydrophilic surface: 20.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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:  
   
Parent related molecule:


MMs01965946
IBS-ZINC06671925