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ASINEX-ZINC04804208

 MMsINC code: MMs00371851
Type: Neutral
Formula: C15H20FNO2
SMILES:   Fc1cc(ccc1)C(OC(CN1CCCCC1)C)=O
InChI:   InChI=1/C15H20FNO2/c1-12(11-17-8-3-2-4-9-17)19-15(18)13-6-5-7-14(16)10-13/h5-7,10,12H,2-4,8-9,11H2,1H3/t12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.5219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.328 g/mol  logS: -3.04084  SlogP: 2.8569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165695  Sterimol/B1: 2.13825  Sterimol/B2: 3.59754  Sterimol/B3: 4.3845
  Sterimol/B4: 7.91588  Sterimol/L: 13.5356 
 
 Surface and Volume Properties
  Accessible surface: 505.769  Positive charged surface: 338.68  Negative charged surface: 167.09  Volume: 262.5
  Hydrophobic surface: 461.386  Hydrophilic surface: 44.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00371852
ASINEX-ZINC04804208