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NCID-ZINC05824086

 MMsINC code: MMs02503187
Type: Neutral
Formula: C9H10F2N2O4
SMILES:   FC1C(F)C(OC1CO)N1C=CC(=O)NC1=O
InChI:   InChI=1/C9H10F2N2O4/c10-6-4(3-14)17-8(7(6)11)13-2-1-5(15)12-9(13)16/h1-2,4,6-8,14H,3H2,(H,12,15,16)/t4-,6+,7+,8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.2711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.185 g/mol  logS: -0.92411  SlogP: 0.2851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.077901  Sterimol/B1: 2.52806  Sterimol/B2: 3.12982  Sterimol/B3: 3.39854
  Sterimol/B4: 5.81617  Sterimol/L: 12.3631 
 
 Surface and Volume Properties
  Accessible surface: 399.165  Positive charged surface: 237.893  Negative charged surface: 161.273  Volume: 190.375
  Hydrophobic surface: 174.44  Hydrophilic surface: 224.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.