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IBS-ZINC02304655

 MMsINC code: MMs01828142
Type: Neutral
Formula: C27H19FN2O
SMILES:   Fc1ccc(cc1)-c1[nH]c(c(n1)-c1ccc(Oc2ccccc2)cc1)-c1ccccc1
InChI:   InChI=1/C27H19FN2O/c28-22-15-11-21(12-16-22)27-29-25(19-7-3-1-4-8-19)26(30-27)20-13-17-24(18-14-20)31-23-9-5-2-6-10-23/h1-18H,(H,29,30)

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Potential Energy
Epot(MMFF94)=109.506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.46 g/mol  logS: -9.54281  SlogP: 7.3421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0386435  Sterimol/B1: 2.53455  Sterimol/B2: 3.13253  Sterimol/B3: 3.47593
  Sterimol/B4: 11.8429  Sterimol/L: 18.9674 
 
 Surface and Volume Properties
  Accessible surface: 693.655  Positive charged surface: 373.739  Negative charged surface: 319.915  Volume: 393.625
  Hydrophobic surface: 673.995  Hydrophilic surface: 19.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.