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CHEMDIV-ZINC04970090

 MMsINC code: MMs00975572
Type: Neutral
Formula: C25H19F2N3
SMILES:   Fc1cc2c3n(nc(c3cnc2cc1F)-c1ccc(cc1)C)-c1cc(C)c(cc1)C
InChI:   InChI=1/C25H19F2N3/c1-14-4-7-17(8-5-14)24-20-13-28-23-12-22(27)21(26)11-19(23)25(20)30(29-24)18-9-6-15(2)16(3)10-18/h4-13H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.444 g/mol  logS: -8.38091  SlogP: 6.44416  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0421734  Sterimol/B1: 3.40647  Sterimol/B2: 3.7922  Sterimol/B3: 4.37712
  Sterimol/B4: 8.79964  Sterimol/L: 17.2614 
 
 Surface and Volume Properties
  Accessible surface: 649.407  Positive charged surface: 348.793  Negative charged surface: 291.598  Volume: 375.125
  Hydrophobic surface: 612.898  Hydrophilic surface: 36.509
 
 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.