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ALFAAESAR-ZINC04264636

 MMsINC code: MMs00024641
Type: Neutral
Formula: C5H10FN
SMILES:   FC1CCCNC1
InChI:   InChI=1/C5H10FN/c6-5-2-1-3-7-4-5/h5,7H,1-4H2/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.25032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 103.14 g/mol  logS: -0.23355  SlogP: 1.1278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.293668  Sterimol/B1: 2.60689  Sterimol/B2: 2.91462  Sterimol/B3: 3.11035
  Sterimol/B4: 4.60109  Sterimol/L: 7.92227 
 
 Surface and Volume Properties
  Accessible surface: 269.625  Positive charged surface: 211.658  Negative charged surface: 57.9669  Volume: 105.5
  Hydrophobic surface: 199.238  Hydrophilic surface: 70.387
 
 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


MMs00024642
ALFAAESAR-ZINC04264636