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


IBS-ZINC05501234

 MMsINC code: MMs01954215
Type: Neutral
Formula: C26H29ClFNO
SMILES:   Clc1ccc(cc1)C(NCCC(c1ccc(OC(C)C)cc1)c1ccc(F)cc1)C
InChI:   InChI=1/C26H29ClFNO/c1-18(2)30-25-14-8-22(9-15-25)26(21-6-12-24(28)13-7-21)16-17-29-19(3)20-4-10-23(27)11-5-20/h4-15,18-19,26,29H,16-17H2,1-3H3/t19-,26-/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)=101.178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.975 g/mol  logS: -6.86026  SlogP: 7.2346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878176  Sterimol/B1: 3.83591  Sterimol/B2: 4.16234  Sterimol/B3: 5.349
  Sterimol/B4: 8.29626  Sterimol/L: 20.8995 
 
 Surface and Volume Properties
  Accessible surface: 754.14  Positive charged surface: 419.095  Negative charged surface: 335.045  Volume: 426.125
  Hydrophobic surface: 677.499  Hydrophilic surface: 76.641
 
 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


MMs01954216
IBS-ZINC05501234