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NIH-ZINC00266537

 MMsINC code: MMs02520933
Type: Neutral
Formula: C13H10F2N2O2
SMILES:   Fc1cc(Nc2ccc(cc2N)C(O)=O)ccc1F
InChI:   InChI=1/C13H10F2N2O2/c14-9-3-2-8(6-10(9)15)17-12-4-1-7(13(18)19)5-11(12)16/h1-6,17H,16H2,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.5397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.231 g/mol  logS: -3.28544  SlogP: 2.9888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0413556  Sterimol/B1: 2.60106  Sterimol/B2: 2.93976  Sterimol/B3: 3.23941
  Sterimol/B4: 6.0547  Sterimol/L: 13.8592 
 
 Surface and Volume Properties
  Accessible surface: 453.967  Positive charged surface: 239.568  Negative charged surface: 214.399  Volume: 222.25
  Hydrophobic surface: 290.602  Hydrophilic surface: 163.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02520934
NIH-ZINC00266537