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MAYBRIDGE-ZINC00140313

 MMsINC code: MMs02139335
Type: Neutral
Formula: C14H9Cl3FNO2
SMILES:   Clc1cccc(F)c1COC(=O)Nc1c(Cl)cccc1Cl
InChI:   InChI=1/C14H9Cl3FNO2/c15-9-3-2-6-12(18)8(9)7-21-14(20)19-13-10(16)4-1-5-11(13)17/h1-6H,7H2,(H,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.0254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.588 g/mol  logS: -5.92954  SlogP: 5.801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314187  Sterimol/B1: 2.52432  Sterimol/B2: 3.61177  Sterimol/B3: 4.66107
  Sterimol/B4: 4.84818  Sterimol/L: 16.2539 
 
 Surface and Volume Properties
  Accessible surface: 536.321  Positive charged surface: 201.631  Negative charged surface: 334.69  Volume: 276
  Hydrophobic surface: 482.846  Hydrophilic surface: 53.475
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.