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OAKWOOD-ZINC01846652

 MMsINC code: MMs02543249
Type: Neutral
Formula: C3H7FO
SMILES:   FCCCO
InChI:   InChI=1/C3H7FO/c4-2-1-3-5/h5H,1-3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.4241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 78.086 g/mol  logS: 0.08654  SlogP: 0.3383  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.155436  Sterimol/B1: 2.11467  Sterimol/B2: 2.3756  Sterimol/B3: 2.37577
  Sterimol/B4: 3.01034  Sterimol/L: 8.43724 
 
 Surface and Volume Properties
  Accessible surface: 236.776  Positive charged surface: 170.012  Negative charged surface: 66.7638  Volume: 77.75
  Hydrophobic surface: 143.386  Hydrophilic surface: 93.39
 
 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.