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ENAMINE-ZINC03318479

 MMsINC code: MMs01368583
Type: Neutral
Formula: C24H16FN3O2
SMILES:   Fc1cc(C(=O)c2cn(nc2)-c2ccccc2)c(OCc2ccc(cc2)C#N)cc1
InChI:   InChI=1/C24H16FN3O2/c25-20-10-11-23(30-16-18-8-6-17(13-26)7-9-18)22(12-20)24(29)19-14-27-28(15-19)21-4-2-1-3-5-21/h1-12,14-15H,16H2

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Potential Energy
Epot(MMFF94)=110.566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.409 g/mol  logS: -6.07579  SlogP: 4.95948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116862  Sterimol/B1: 3.66487  Sterimol/B2: 4.33502  Sterimol/B3: 6.80033
  Sterimol/B4: 8.97691  Sterimol/L: 15.8616 
 
 Surface and Volume Properties
  Accessible surface: 683.135  Positive charged surface: 331.731  Negative charged surface: 351.404  Volume: 370.25
  Hydrophobic surface: 535.721  Hydrophilic surface: 147.414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.