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ALFAAESAR-ZINC02382102

 MMsINC code: MMs00022952
Type: Neutral
Formula: C6H3ClF2O
SMILES:   Clc1c(O)c(F)ccc1F
InChI:   InChI=1/C6H3ClF2O/c7-5-3(8)1-2-4(9)6(5)10/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.4789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.538 g/mol  logS: -2.34718  SlogP: 2.3238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150126  Sterimol/B1: 2.14916  Sterimol/B2: 2.24102  Sterimol/B3: 2.72875
  Sterimol/B4: 5.88165  Sterimol/L: 8.45821 
 
 Surface and Volume Properties
  Accessible surface: 291.288  Positive charged surface: 109.564  Negative charged surface: 181.724  Volume: 118.75
  Hydrophobic surface: 245.953  Hydrophilic surface: 45.335
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.