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MAYBRIDGE-ZINC00170250

 MMsINC code: MMs02145856
Type: Neutral
Formula: C12H6Cl3NO3
SMILES:   Clc1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C12H6Cl3NO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.3176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.543 g/mol  logS: -6.16069  SlogP: 5.3473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126039  Sterimol/B1: 3.25251  Sterimol/B2: 4.74956  Sterimol/B3: 4.75054
  Sterimol/B4: 5.14533  Sterimol/L: 14.7321 
 
 Surface and Volume Properties
  Accessible surface: 477.48  Positive charged surface: 125.275  Negative charged surface: 352.206  Volume: 242.625
  Hydrophobic surface: 394.611  Hydrophilic surface: 82.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.