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ENAMINE-ZINC05445343

 MMsINC code: MMs01613956
Type: Neutral
Formula: C23H17FN2O3
SMILES:   Fc1ccc(N\C=C\2/c3c(cccc3)C(=O)N(C/2=O)c2cc(OC)ccc2)cc1
InChI:   InChI=1/C23H17FN2O3/c1-29-18-6-4-5-17(13-18)26-22(27)20-8-3-2-7-19(20)21(23(26)28)14-25-16-11-9-15(24)10-12-16/h2-14,25H,1H3/b21-14-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.398 g/mol  logS: -5.97691  SlogP: 4.4743  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475412  Sterimol/B1: 2.35863  Sterimol/B2: 4.21474  Sterimol/B3: 5.35546
  Sterimol/B4: 9.60962  Sterimol/L: 17.5452 
 
 Surface and Volume Properties
  Accessible surface: 638.863  Positive charged surface: 347.45  Negative charged surface: 291.413  Volume: 355.75
  Hydrophobic surface: 574.834  Hydrophilic surface: 64.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs01613957
ENAMINE-ZINC05445343