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CHEMDIV-ZINC04970228

 MMsINC code: MMs00975654
Type: Neutral
Formula: C24H18FN3
SMILES:   Fc1cc2c3n(nc(c3cnc2cc1)-c1cc(C)c(cc1)C)-c1ccccc1
InChI:   InChI=1/C24H18FN3/c1-15-8-9-17(12-16(15)2)23-21-14-26-22-11-10-18(25)13-20(22)24(21)28(27-23)19-6-4-3-5-7-19/h3-14H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.106 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: 0.0366732  Sterimol/B1: 3.01483  Sterimol/B2: 3.71114  Sterimol/B3: 5.74522
  Sterimol/B4: 6.57416  Sterimol/L: 16.1612 
 
 Surface and Volume Properties
  Accessible surface: 619.901  Positive charged surface: 331.957  Negative charged surface: 278.364  Volume: 355.75
  Hydrophobic surface: 582.347  Hydrophilic surface: 37.554
 
 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.