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


PUBCHEM-ZINC00855780

 MMsINC code: MMs02739618
Type: Neutral
Formula: C24H19ClN2O2
SMILES:   Clc1ccc(cc1)C(NC(=O)Cc1ccccc1)c1ccc2c(nccc2)c1O
InChI:   InChI=1/C24H19ClN2O2/c25-19-11-8-18(9-12-19)22(27-21(28)15-16-5-2-1-3-6-16)20-13-10-17-7-4-14-26-23(17)24(20)29/h1-14,22,29H,15H2,(H,27,28)/t22-/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)=109.169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.881 g/mol  logS: -6.08916  SlogP: 5.13757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115396  Sterimol/B1: 3.32639  Sterimol/B2: 3.40994  Sterimol/B3: 4.90907
  Sterimol/B4: 9.46905  Sterimol/L: 18.1177 
 
 Surface and Volume Properties
  Accessible surface: 673.856  Positive charged surface: 365.21  Negative charged surface: 303.518  Volume: 379.5
  Hydrophobic surface: 598.409  Hydrophilic surface: 75.447
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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:  
   

Ions/Tautomers related molecules: no related molecules available.