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ASINEX-ZINC00285072

 MMsINC code: MMs00108519
Type: Neutral
Formula: C17H23FN2O
SMILES:   Fc1cc(ccc1)C(=O)N1CCN(CC1)C1CCCCC1
InChI:   InChI=1/C17H23FN2O/c18-15-6-4-5-14(13-15)17(21)20-11-9-19(10-12-20)16-7-2-1-3-8-16/h4-6,13,16H,1-3,7-12H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.382 g/mol  logS: -3.23787  SlogP: 2.9162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130556  Sterimol/B1: 2.71835  Sterimol/B2: 2.72475  Sterimol/B3: 5.03933
  Sterimol/B4: 6.30743  Sterimol/L: 14.444 
 
 Surface and Volume Properties
  Accessible surface: 525.357  Positive charged surface: 365.98  Negative charged surface: 159.377  Volume: 289
  Hydrophobic surface: 489.812  Hydrophilic surface: 35.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00108520
ASINEX-ZINC00285072