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


PUBCHEM-ZINC02942456

 MMsINC code: MMs02963889
Type: Neutral
Formula: C20H21Cl2NO
SMILES:   Clc1ccccc1C(O)(c1ccccc1Cl)C1C2CCN(C1)CC2
InChI:   InChI=1/C20H21Cl2NO/c21-18-7-3-1-5-15(18)20(24,16-6-2-4-8-19(16)22)17-13-23-11-9-14(17)10-12-23/h1-8,14,17,24H,9-13H2/t17-/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)=154.446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.3 g/mol  logS: -5.14415  SlogP: 4.8826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.276084  Sterimol/B1: 2.39237  Sterimol/B2: 3.83049  Sterimol/B3: 4.46914
  Sterimol/B4: 9.08807  Sterimol/L: 12.5095 
 
 Surface and Volume Properties
  Accessible surface: 515.24  Positive charged surface: 312.399  Negative charged surface: 202.841  Volume: 327.75
  Hydrophobic surface: 499.516  Hydrophilic surface: 15.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02963890
PUBCHEM-ZINC02942456