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ASINEX-ZINC02573271

 MMsINC code: MMs00275148
Type: Ionized
Formula: C16H19FNO+
SMILES:   Fc1ccccc1C[NH2+]CCc1ccc(OC)cc1
InChI:   InChI=1/C16H18FNO/c1-19-15-8-6-13(7-9-15)10-11-18-12-14-4-2-3-5-16(14)17/h2-9,18H,10-12H2,1H3/p+1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.7476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.332 g/mol  logS: -3.27572  SlogP: 2.40677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0373877  Sterimol/B1: 2.47854  Sterimol/B2: 3.54454  Sterimol/B3: 4.06363
  Sterimol/B4: 4.30378  Sterimol/L: 18.6621 
 
 Surface and Volume Properties
  Accessible surface: 535.021  Positive charged surface: 361.297  Negative charged surface: 173.724  Volume: 269.625
  Hydrophobic surface: 500.947  Hydrophilic surface: 34.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs00275147
ASINEX-ZINC02573271