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APOLLO-ZINC04329296

 MMsINC code: MMs00059029
Type: Neutral
Formula: C3HCl2F5O
SMILES:   ClC(Cl)(OC(F)F)C(F)(F)F
InChI:   InChI=1/C3HCl2F5O/c4-2(5,3(8,9)10)11-1(6)7/h1H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.8906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.936 g/mol  logS: -2.54252  SlogP: 4.179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.231345  Sterimol/B1: 2.3509  Sterimol/B2: 3.51123  Sterimol/B3: 3.52063
  Sterimol/B4: 3.68363  Sterimol/L: 8.30824 
 
 Surface and Volume Properties
  Accessible surface: 290.839  Positive charged surface: 44.1181  Negative charged surface: 246.721  Volume: 117.875
  Hydrophobic surface: 22.8945  Hydrophilic surface: 267.9445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.