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CHEMDIV-ZINC04970096

 MMsINC code: MMs00975578
Type: Neutral
Formula: C25H20FN3
SMILES:   Fc1c2ncc3c(n(nc3-c3ccc(cc3)C)-c3cc(C)c(cc3)C)c2ccc1
InChI:   InChI=1/C25H20FN3/c1-15-7-10-18(11-8-15)23-21-14-27-24-20(5-4-6-22(24)26)25(21)29(28-23)19-12-9-16(2)17(3)13-19/h4-14H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.454 g/mol  logS: -8.08593  SlogP: 6.30506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423187  Sterimol/B1: 3.39956  Sterimol/B2: 3.79588  Sterimol/B3: 4.31124
  Sterimol/B4: 8.98019  Sterimol/L: 17.2678 
 
 Surface and Volume Properties
  Accessible surface: 645.436  Positive charged surface: 359.247  Negative charged surface: 276.893  Volume: 371.375
  Hydrophobic surface: 610.306  Hydrophilic surface: 35.13
 
 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.