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CHEMBLOCK-ZINC02513587

 MMsINC code: MMs00532730
Type: Neutral
Formula: C19H21FN2O
SMILES:   Fc1ccccc1CNCCc1c2cc(OC)ccc2[nH]c1C
InChI:   InChI=1/C19H21FN2O/c1-13-16(17-11-15(23-2)7-8-19(17)22-13)9-10-21-12-14-5-3-4-6-18(14)20/h3-8,11,21-22H,9-10,12H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.3838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.388 g/mol  logS: -3.9034  SlogP: 4.22269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0304862  Sterimol/B1: 2.22601  Sterimol/B2: 2.70568  Sterimol/B3: 3.46862
  Sterimol/B4: 9.70572  Sterimol/L: 17.0762 
 
 Surface and Volume Properties
  Accessible surface: 592.417  Positive charged surface: 386.979  Negative charged surface: 200.443  Volume: 314.5
  Hydrophobic surface: 534.886  Hydrophilic surface: 57.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00532731
CHEMBLOCK-ZINC02513587