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


PUBCHEM-ZINC01124189

 MMsINC code: MMs02774955
Type: Neutral
Formula: C22H25ClN2O2
SMILES:   Clc1cc(ccc1C)C(=O)Nc1ccccc1C(=O)N1C(CCCC1C)C
InChI:   InChI=1/C22H25ClN2O2/c1-14-11-12-17(13-19(14)23)21(26)24-20-10-5-4-9-18(20)22(27)25-15(2)7-6-8-16(25)3/h4-5,9-13,15-16H,6-8H2,1-3H3,(H,24,26)/t15-,16-/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)=128.809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.907 g/mol  logS: -5.69834  SlogP: 5.30382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.079545  Sterimol/B1: 3.5119  Sterimol/B2: 3.67927  Sterimol/B3: 4.71642
  Sterimol/B4: 8.59948  Sterimol/L: 15.9487 
 
 Surface and Volume Properties
  Accessible surface: 631.757  Positive charged surface: 360.034  Negative charged surface: 271.723  Volume: 369.375
  Hydrophobic surface: 555.498  Hydrophilic surface: 76.259
 
 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: no related molecules available.