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CHEMDIV-ZINC02950608

 MMsINC code: MMs00897159
Type: Neutral
Formula: C24H14F2N2
SMILES:   Fc1ccc(cc1)-c1nc2c(nc1-c1ccc(F)cc1)cc1c(c2)cccc1
InChI:   InChI=1/C24H14F2N2/c25-19-9-5-15(6-10-19)23-24(16-7-11-20(26)12-8-16)28-22-14-18-4-2-1-3-17(18)13-21(22)27-23/h1-14H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.386 g/mol  logS: -7.94228  SlogP: 6.3952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324876  Sterimol/B1: 3.07587  Sterimol/B2: 3.25281  Sterimol/B3: 5.03402
  Sterimol/B4: 6.41602  Sterimol/L: 15.8933 
 
 Surface and Volume Properties
  Accessible surface: 590.086  Positive charged surface: 295.996  Negative charged surface: 280.711  Volume: 339.125
  Hydrophobic surface: 551.414  Hydrophilic surface: 38.672
 
 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.