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NCID-ZINC01753862

 MMsINC code: MMs02363588
Type: Neutral
Formula: C14H10Cl3NO3
SMILES:   Clc1cccc(Cl)c1OC(=O)Nc1ccc(Cl)cc1OC
InChI:   InChI=1/C14H10Cl3NO3/c1-20-12-7-8(15)5-6-11(12)18-14(19)21-13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.597 g/mol  logS: -5.64937  SlogP: 5.2663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0615  Sterimol/B1: 2.54737  Sterimol/B2: 4.00746  Sterimol/B3: 4.39621
  Sterimol/B4: 7.01343  Sterimol/L: 15.0673 
 
 Surface and Volume Properties
  Accessible surface: 544.589  Positive charged surface: 237.784  Negative charged surface: 306.805  Volume: 276
  Hydrophobic surface: 500.311  Hydrophilic surface: 44.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.