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PUBCHEM-ZINC00002486

 MMsINC code: MMs02625610
Type: Neutral
Formula: C12H10FN3O4
SMILES:   Fc1cc2c(OC(CC23NC(=O)NC3=O)C(=O)N)cc1
InChI:   InChI=1/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.227 g/mol  logS: -2.88291  SlogP: -0.1917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133489  Sterimol/B1: 2.87444  Sterimol/B2: 3.31531  Sterimol/B3: 4.217
  Sterimol/B4: 7.65279  Sterimol/L: 12.4325 
 
 Surface and Volume Properties
  Accessible surface: 438.983  Positive charged surface: 230.607  Negative charged surface: 208.375  Volume: 219
  Hydrophobic surface: 188.391  Hydrophilic surface: 250.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.