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ASINEX-ZINC04968565

 MMsINC code: MMs00417546
Type: Neutral
Formula: C16H23FN2O
SMILES:   Fc1ccc(cc1)CCNC(=O)CN1CCCCCC1
InChI:   InChI=1/C16H23FN2O/c17-15-7-5-14(6-8-15)9-10-18-16(20)13-19-11-3-1-2-4-12-19/h5-8H,1-4,9-13H2,(H,18,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.9493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.371 g/mol  logS: -2.74127  SlogP: 2.36037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058246  Sterimol/B1: 2.71007  Sterimol/B2: 3.35978  Sterimol/B3: 4.51979
  Sterimol/B4: 4.71768  Sterimol/L: 17.4197 
 
 Surface and Volume Properties
  Accessible surface: 541.198  Positive charged surface: 384.119  Negative charged surface: 157.08  Volume: 281.875
  Hydrophobic surface: 504.487  Hydrophilic surface: 36.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00417547
ASINEX-ZINC04968565