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


PUBCHEM-ZINC03736254

 MMsINC code: MMs03063753
Type: Neutral
Formula: C24H21ClN2O
SMILES:   Clc1ccccc1C1NCCc2c1[nH]c1c2cc(OCc2ccccc2)cc1
InChI:   InChI=1/C24H21ClN2O/c25-21-9-5-4-8-19(21)23-24-18(12-13-26-23)20-14-17(10-11-22(20)27-24)28-15-16-6-2-1-3-7-16/h1-11,14,23,26-27H,12-13,15H2/t23-/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)=94.2116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.898 g/mol  logS: -6.07254  SlogP: 5.99727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0605522  Sterimol/B1: 3.76486  Sterimol/B2: 4.82691  Sterimol/B3: 5.13456
  Sterimol/B4: 5.27578  Sterimol/L: 19.2782 
 
 Surface and Volume Properties
  Accessible surface: 656.686  Positive charged surface: 362.664  Negative charged surface: 288.341  Volume: 373.25
  Hydrophobic surface: 623.463  Hydrophilic surface: 33.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03063754
PUBCHEM-ZINC03736254