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CHEMDIV-ZINC04147611

 MMsINC code: MMs00929446
Type: Neutral
Formula: C25H21FN2
SMILES:   Fc1ccc(cc1)C(c1c2c([nH]c1C)cccc2)c1c2c([nH]c1C)cccc2
InChI:   InChI=1/C25H21FN2/c1-15-23(19-7-3-5-9-21(19)27-15)25(17-11-13-18(26)14-12-17)24-16(2)28-22-10-6-4-8-20(22)24/h3-14,25,27-28H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.455 g/mol  logS: -6.33183  SlogP: 6.58534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.551141  Sterimol/B1: 2.36078  Sterimol/B2: 2.72284  Sterimol/B3: 8.15915
  Sterimol/B4: 8.91775  Sterimol/L: 12.6843 
 
 Surface and Volume Properties
  Accessible surface: 587.996  Positive charged surface: 332.79  Negative charged surface: 253.51  Volume: 362.625
  Hydrophobic surface: 536.848  Hydrophilic surface: 51.148
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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.