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PUBCHEM-ZINC02666403

 MMsINC code: MMs02908587
Type: Neutral
Formula: C25H19FN2
SMILES:   Fc1ccccc1Cn1c2c(nc1Cc1c3c(ccc1)cccc3)cccc2
InChI:   InChI=1/C25H19FN2/c26-22-13-4-2-9-20(22)17-28-24-15-6-5-14-23(24)27-25(28)16-19-11-7-10-18-8-1-3-12-21(18)19/h1-15H,16-17H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.439 g/mol  logS: -7.2741  SlogP: 6.23407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143465  Sterimol/B1: 3.20218  Sterimol/B2: 5.25035  Sterimol/B3: 5.57089
  Sterimol/B4: 6.25856  Sterimol/L: 15.6924 
 
 Surface and Volume Properties
  Accessible surface: 612.859  Positive charged surface: 323.422  Negative charged surface: 278.225  Volume: 362.125
  Hydrophobic surface: 590.193  Hydrophilic surface: 22.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.