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PUBCHEM-ZINC02040595

 MMsINC code: MMs02862757
Type: Neutral
Formula: C18H28FNO2
SMILES:   Fc1ccc(cc1)C(OCCCN(CCCC)CCCC)=O
InChI:   InChI=1/C18H28FNO2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.8519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.425 g/mol  logS: -4.24965  SlogP: 4.2748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0554144  Sterimol/B1: 2.50817  Sterimol/B2: 3.26087  Sterimol/B3: 3.87752
  Sterimol/B4: 10.446  Sterimol/L: 17.2938 
 
 Surface and Volume Properties
  Accessible surface: 648.615  Positive charged surface: 452.772  Negative charged surface: 195.843  Volume: 329.625
  Hydrophobic surface: 563.898  Hydrophilic surface: 84.717
 
 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


MMs02862758
PUBCHEM-ZINC02040595