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CHEMDIV-ZINC04970089

 MMsINC code: MMs00975571
Type: Neutral
Formula: C24H18FN3
SMILES:   Fc1ccc(cc1)-c1nn(c2c1cnc1c2cccc1)-c1cc(C)c(cc1)C
InChI:   InChI=1/C24H18FN3/c1-15-7-12-19(13-16(15)2)28-24-20-5-3-4-6-22(20)26-14-21(24)23(27-28)17-8-10-18(25)11-9-17/h3-14H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.427 g/mol  logS: -7.61201  SlogP: 5.99664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052425  Sterimol/B1: 2.84128  Sterimol/B2: 3.79377  Sterimol/B3: 4.33632
  Sterimol/B4: 8.98215  Sterimol/L: 16.4108 
 
 Surface and Volume Properties
  Accessible surface: 615.758  Positive charged surface: 331.522  Negative charged surface: 273.204  Volume: 354.875
  Hydrophobic surface: 577.881  Hydrophilic surface: 37.877
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.