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MAYBRIDGE-ZINC01041550

 MMsINC code: MMs02154252
Type: Neutral
Formula: C23H14FNO2
SMILES:   Fc1ccc(cc1)CN1C2=C(c3c(cccc3)C1=O)C(=O)c1c2cccc1
InChI:   InChI=1/C23H14FNO2/c24-15-11-9-14(10-12-15)13-25-21-17-6-2-3-7-18(17)22(26)20(21)16-5-1-4-8-19(16)23(25)27/h1-12H,13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.368 g/mol  logS: -6.41291  SlogP: 4.8127  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.120299  Sterimol/B1: 3.2213  Sterimol/B2: 4.53187  Sterimol/B3: 6.30674
  Sterimol/B4: 6.50485  Sterimol/L: 13.0214 
 
 Surface and Volume Properties
  Accessible surface: 552.656  Positive charged surface: 278.554  Negative charged surface: 274.102  Volume: 326.375
  Hydrophobic surface: 482.248  Hydrophilic surface: 70.408
 
 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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.