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IBS-ZINC05321535

 MMsINC code: MMs01938270
Type: Neutral
Formula: C20H20FNO2
SMILES:   Fc1ccccc1COc1ccc2c(cccc2)c1CNCCO
InChI:   InChI=1/C20H20FNO2/c21-19-8-4-2-6-16(19)14-24-20-10-9-15-5-1-3-7-17(15)18(20)13-22-11-12-23/h1-10,22-23H,11-14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.8796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.383 g/mol  logS: -4.91398  SlogP: 4.1726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0605413  Sterimol/B1: 3.09159  Sterimol/B2: 3.82868  Sterimol/B3: 3.86235
  Sterimol/B4: 8.31341  Sterimol/L: 16.1388 
 
 Surface and Volume Properties
  Accessible surface: 589.597  Positive charged surface: 353.445  Negative charged surface: 225.938  Volume: 320.25
  Hydrophobic surface: 520.827  Hydrophilic surface: 68.77
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01938271
IBS-ZINC05321535