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PUBCHEM-ZINC05133796

 MMsINC code: MMs03208719
Type: Neutral
Formula: C7H12FNO
SMILES:   FCC(=O)N1CCCCC1
InChI:   InChI=1/C7H12FNO/c8-6-7(10)9-4-2-1-3-5-9/h1-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.5746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.177 g/mol  logS: -0.73496  SlogP: 0.9684  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.156833  Sterimol/B1: 2.91985  Sterimol/B2: 3.14308  Sterimol/B3: 3.45445
  Sterimol/B4: 4.32708  Sterimol/L: 10.0334 
 
 Surface and Volume Properties
  Accessible surface: 322.431  Positive charged surface: 232.849  Negative charged surface: 89.5822  Volume: 141.125
  Hydrophobic surface: 231.146  Hydrophilic surface: 91.285
 
 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.