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NCID-ZINC05541280

 MMsINC code: MMs02471923
Type: Neutral
Formula: C10H13FN2O5
SMILES:   FC1C(O)C(OC1N1C=C(C)C(=O)NC1=O)CO
InChI:   InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7+,9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.7393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.221 g/mol  logS: -0.41483  SlogP: -0.7219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100125  Sterimol/B1: 2.33087  Sterimol/B2: 3.35157  Sterimol/B3: 3.66112
  Sterimol/B4: 6.68819  Sterimol/L: 12.3239 
 
 Surface and Volume Properties
  Accessible surface: 436.375  Positive charged surface: 288.961  Negative charged surface: 147.414  Volume: 211.5
  Hydrophobic surface: 208.969  Hydrophilic surface: 227.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.