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ENAMINE-ZINC03569483

 MMsINC code: MMs01513122
Type: Neutral
Formula: C16H9FINO2
SMILES:   Ic1ccccc1C=1OC(=O)/C(/N=1)=C/c1cc(F)ccc1
InChI:   InChI=1/C16H9FINO2/c17-11-5-3-4-10(8-11)9-14-16(20)21-15(19-14)12-6-1-2-7-13(12)18/h1-9H/b14-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.5547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.155 g/mol  logS: -6.34351  SlogP: 3.7748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174113  Sterimol/B1: 2.30325  Sterimol/B2: 2.7784  Sterimol/B3: 3.32333
  Sterimol/B4: 6.35056  Sterimol/L: 16.3061 
 
 Surface and Volume Properties
  Accessible surface: 507.817  Positive charged surface: 220.817  Negative charged surface: 287  Volume: 272.25
  Hydrophobic surface: 452.276  Hydrophilic surface: 55.541
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.