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


ASINEX-ZINC04451567

 MMsINC code: MMs00336530
Type: Neutral
Formula: C23H27ClN2O3
SMILES:   Clc1ccccc1-c1noc(C)c1C(=O)NCCOC12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C23H27ClN2O3/c1-14-20(21(26-29-14)18-4-2-3-5-19(18)24)22(27)25-6-7-28-23-11-15-8-16(12-23)10-17(9-15)13-23/h2-5,15-17H,6-13H2,1H3,(H,25,27)/t15-,16+,17-,23-

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)=95.8448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.933 g/mol  logS: -6.58934  SlogP: 5.01862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131569  Sterimol/B1: 2.33835  Sterimol/B2: 4.56523  Sterimol/B3: 4.85325
  Sterimol/B4: 9.969  Sterimol/L: 15.4479 
 
 Surface and Volume Properties
  Accessible surface: 680.763  Positive charged surface: 423.06  Negative charged surface: 257.704  Volume: 388.375
  Hydrophobic surface: 630.621  Hydrophilic surface: 50.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.