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APOLLO-ZINC01674837

 MMsINC code: MMs00049731
Type: Neutral
Formula: C5H9FO2
SMILES:   FC(C(OCC)=O)C
InChI:   InChI=1/C5H9FO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.123 g/mol  logS: -0.97682  SlogP: 1.3274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0884902  Sterimol/B1: 2.68342  Sterimol/B2: 2.70518  Sterimol/B3: 3.33149
  Sterimol/B4: 3.47218  Sterimol/L: 10.722 
 
 Surface and Volume Properties
  Accessible surface: 303.799  Positive charged surface: 194.581  Negative charged surface: 109.218  Volume: 114.75
  Hydrophobic surface: 182.292  Hydrophilic surface: 121.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.