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


ENAMINE-ZINC03293345

 MMsINC code: MMs01354493
Type: Neutral
Formula: C23H18Cl2N2O
SMILES:   Clc1cc(Cl)ccc1C1c2c([nH]c3c2cccc3)C(NC1)c1ccc(O)cc1
InChI:   InChI=1/C23H18Cl2N2O/c24-14-7-10-16(19(25)11-14)18-12-26-22(13-5-8-15(28)9-6-13)23-21(18)17-3-1-2-4-20(17)27-23/h1-11,18,22,26-28H,12H2/t18-,22+/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)=101.102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.316 g/mol  logS: -6.26906  SlogP: 6.1003  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259969  Sterimol/B1: 3.24228  Sterimol/B2: 4.15199  Sterimol/B3: 5.60989
  Sterimol/B4: 9.69594  Sterimol/L: 14.2034 
 
 Surface and Volume Properties
  Accessible surface: 622.056  Positive charged surface: 300.694  Negative charged surface: 318.016  Volume: 369.5
  Hydrophobic surface: 534.083  Hydrophilic surface: 87.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01354494
ENAMINE-ZINC03293345