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PUBCHEM-ZINC02040596

 MMsINC code: MMs02862759
Type: Neutral
Formula: C16H24FNO2
SMILES:   Fc1ccc(cc1)C(OCCCN(CCC)CCC)=O
InChI:   InChI=1/C16H24FNO2/c1-3-10-18(11-4-2)12-5-13-20-16(19)14-6-8-15(17)9-7-14/h6-9H,3-5,10-13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.3894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.371 g/mol  logS: -3.21921  SlogP: 3.4946  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425524  Sterimol/B1: 2.34482  Sterimol/B2: 2.65766  Sterimol/B3: 3.9143
  Sterimol/B4: 8.38163  Sterimol/L: 17.2733 
 
 Surface and Volume Properties
  Accessible surface: 587.506  Positive charged surface: 399.56  Negative charged surface: 187.946  Volume: 290.625
  Hydrophobic surface: 502.897  Hydrophilic surface: 84.609
 
 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


MMs02862760
PUBCHEM-ZINC02040596