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PUBCHEM-ZINC06322371

 MMsINC code: MMs03674376
Type: Neutral
Formula: C15H9Cl2NO
SMILES:   Clc1ccc(cc1)-c1noc(c1)-c1ccc(Cl)cc1
InChI:   InChI=1/C15H9Cl2NO/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.4716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.149 g/mol  logS: -6.29017  SlogP: 5.3154  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.04767e-07  Sterimol/B1: 2.09846  Sterimol/B2: 2.10056  Sterimol/B3: 2.57851
  Sterimol/B4: 5.2138  Sterimol/L: 17.8411 
 
 Surface and Volume Properties
  Accessible surface: 491.856  Positive charged surface: 175.569  Negative charged surface: 316.288  Volume: 252.875
  Hydrophobic surface: 464.037  Hydrophilic surface: 27.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.