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


ASINEX-ZINC02490097

 MMsINC code: MMs00273201
Type: Neutral
Formula: C15H16ClNO2
SMILES:   Clc1c2cc(ccc2nc(C)c1CCCC)C(O)=O
InChI:   InChI=1/C15H16ClNO2/c1-3-4-5-11-9(2)17-13-7-6-10(15(18)19)8-12(13)14(11)16/h6-8H,3-5H2,1-2H3,(H,18,19)

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)=50.2582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.751 g/mol  logS: -4.69663  SlogP: 4.23739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0494688  Sterimol/B1: 2.23174  Sterimol/B2: 3.01992  Sterimol/B3: 4.30033
  Sterimol/B4: 6.31206  Sterimol/L: 15.8633 
 
 Surface and Volume Properties
  Accessible surface: 499.267  Positive charged surface: 283.191  Negative charged surface: 210.898  Volume: 263.75
  Hydrophobic surface: 362.429  Hydrophilic surface: 136.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00273202
ASINEX-ZINC02490097