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PUBCHEM-ZINC06481290

 MMsINC code: MMs03757676
Type: Neutral
Formula: C17H22FNO2
SMILES:   FCc1ccc(cc1)C1CC2N(C(CC2)C1C(OC)=O)C
InChI:   InChI=1/C17H22FNO2/c1-19-13-7-8-15(19)16(17(20)21-2)14(9-13)12-5-3-11(10-18)4-6-12/h3-6,13-16H,7-10H2,1-2H3/t13-,14-,15+,16+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=378.921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.366 g/mol  logS: -2.55725  SlogP: 3.1618  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.278152  Sterimol/B1: 2.36268  Sterimol/B2: 3.87991  Sterimol/B3: 5.33693
  Sterimol/B4: 7.01207  Sterimol/L: 12.5038 
 
 Surface and Volume Properties
  Accessible surface: 477.653  Positive charged surface: 366.549  Negative charged surface: 111.103  Volume: 274.25
  Hydrophobic surface: 392.919  Hydrophilic surface: 84.734
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03757677
PUBCHEM-ZINC06481290