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PUBCHEM-ZINC00397755

 MMsINC code: MMs02674316
Type: Neutral
Formula: C14H10Cl3NO3
SMILES:   Clc1ccc(Cl)cc1OC(=O)Nc1cc(Cl)ccc1OC
InChI:   InChI=1/C14H10Cl3NO3/c1-20-12-5-3-8(15)6-11(12)18-14(19)21-13-7-9(16)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)=73.3341 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: 0.0639498  Sterimol/B1: 2.55013  Sterimol/B2: 3.56541  Sterimol/B3: 4.08491
  Sterimol/B4: 8.20005  Sterimol/L: 14.8055 
 
 Surface and Volume Properties
  Accessible surface: 544.42  Positive charged surface: 237.033  Negative charged surface: 307.387  Volume: 277
  Hydrophobic surface: 495.674  Hydrophilic surface: 48.746
 
 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.