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CHEMBRIDGE-ZINC02880588

 MMsINC code: MMs00733605
Type: Neutral
Formula: C18H20F2O2
SMILES:   Fc1ccccc1OCCCCCCOc1ccccc1F
InChI:   InChI=1/C18H20F2O2/c19-15-9-3-5-11-17(15)21-13-7-1-2-8-14-22-18-12-6-4-10-16(18)20/h3-6,9-12H,1-2,7-8,13-14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.35 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.352 g/mol  logS: -4.67702  SlogP: 4.983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00773764  Sterimol/B1: 2.37442  Sterimol/B2: 2.37791  Sterimol/B3: 2.79698
  Sterimol/B4: 5.55808  Sterimol/L: 21.1448 
 
 Surface and Volume Properties
  Accessible surface: 601.402  Positive charged surface: 359.666  Negative charged surface: 241.736  Volume: 299
  Hydrophobic surface: 590.722  Hydrophilic surface: 10.68
 
 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: no related molecules available.