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PUBCHEM-ZINC02178105

 MMsINC code: MMs02881641
Type: Neutral
Formula: C19H24FNO2
SMILES:   Fc1ccc(cc1)COc1cc(ccc1)CNCCCOCC
InChI:   InChI=1/C19H24FNO2/c1-2-22-12-4-11-21-14-17-5-3-6-19(13-17)23-15-16-7-9-18(20)10-8-16/h3,5-10,13,21H,2,4,11-12,14-15H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.4078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.404 g/mol  logS: -3.91026  SlogP: 4.4537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0373261  Sterimol/B1: 2.47298  Sterimol/B2: 3.05956  Sterimol/B3: 4.39335
  Sterimol/B4: 7.60217  Sterimol/L: 20.7989 
 
 Surface and Volume Properties
  Accessible surface: 650.686  Positive charged surface: 442.45  Negative charged surface: 208.236  Volume: 326.625
  Hydrophobic surface: 589.554  Hydrophilic surface: 61.132
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02881642
PUBCHEM-ZINC02178105