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APOLLO-ZINC02555951

 MMsINC code: MMs00053260
Type: Neutral
Formula: C14H9Cl4NO3
SMILES:   Clc1cc(Cl)ccc1OCCOC(=O)c1cc(Cl)nc(Cl)c1
InChI:   InChI=1/C14H9Cl4NO3/c15-9-1-2-11(10(16)7-9)21-3-4-22-14(20)8-5-12(17)19-13(18)6-8/h1-2,5-7H,3-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.81 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.042 g/mol  logS: -5.91287  SlogP: 4.931  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.05285  Sterimol/B1: 2.61224  Sterimol/B2: 4.33814  Sterimol/B3: 5.32254
  Sterimol/B4: 5.72666  Sterimol/L: 18.4439 
 
 Surface and Volume Properties
  Accessible surface: 592.155  Positive charged surface: 202.148  Negative charged surface: 390.006  Volume: 293.25
  Hydrophobic surface: 522.754  Hydrophilic surface: 69.401
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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
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Ions/Tautomers related molecules: no related molecules available.