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ALFAAESAR-ZINC01577575

 MMsINC code: MMs00021368
Type: Neutral
Formula: C3H6ClFO
SMILES:   ClCC(O)CF
InChI:   InChI=1/C3H6ClFO/c4-1-3(6)2-5/h3,6H,1-2H2/t3-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.1237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 112.531 g/mol  logS: -0.47697  SlogP: 0.5556  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.303556  Sterimol/B1: 2.65156  Sterimol/B2: 2.6561  Sterimol/B3: 3.12836
  Sterimol/B4: 3.76568  Sterimol/L: 8.65177 
 
 Surface and Volume Properties
  Accessible surface: 254.987  Positive charged surface: 130.899  Negative charged surface: 124.088  Volume: 91.125
  Hydrophobic surface: 105.984  Hydrophilic surface: 149.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.