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CHEMDIV-ZINC02950843

 MMsINC code: MMs00897208
Type: Neutral
Formula: C24H14F2N2
SMILES:   Fc1cc(ccc1)-c1nc2c(nc1-c1cc(F)ccc1)cc1c(c2)cccc1
InChI:   InChI=1/C24H14F2N2/c25-19-9-3-7-17(11-19)23-24(18-8-4-10-20(26)12-18)28-22-14-16-6-2-1-5-15(16)13-21(22)27-23/h1-14H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.451 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: 0.0339997  Sterimol/B1: 3.23655  Sterimol/B2: 3.41548  Sterimol/B3: 5.03631
  Sterimol/B4: 6.41806  Sterimol/L: 15.6465 
 
 Surface and Volume Properties
  Accessible surface: 585.128  Positive charged surface: 288.208  Negative charged surface: 283.54  Volume: 340.125
  Hydrophobic surface: 546.455  Hydrophilic surface: 38.673
 
 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.