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CHEMDIV-ZINC04970214

 MMsINC code: MMs00975641
Type: Neutral
Formula: C24H17F2N3
SMILES:   Fc1c2ncc3c(n(nc3-c3ccc(F)cc3)-c3cccc(C)c3C)c2ccc1
InChI:   InChI=1/C24H17F2N3/c1-14-5-3-8-21(15(14)2)29-24-18-6-4-7-20(26)23(18)27-13-19(24)22(28-29)16-9-11-17(25)12-10-16/h3-13H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.417 g/mol  logS: -7.59354  SlogP: 6.13574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113519  Sterimol/B1: 2.54489  Sterimol/B2: 2.75308  Sterimol/B3: 5.90225
  Sterimol/B4: 9.80342  Sterimol/L: 15.7026 
 
 Surface and Volume Properties
  Accessible surface: 609.992  Positive charged surface: 322.619  Negative charged surface: 279.481  Volume: 358.875
  Hydrophobic surface: 577.587  Hydrophilic surface: 32.405
 
 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.