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PUBCHEM-ZINC06521347

 MMsINC code: MMs03779743
Type: Neutral
Formula: C12H15FN2O5
SMILES:   FC1CC(OC1COC(=O)C)N1C=C(C)C(=O)NC1=O
InChI:   InChI=1/C12H15FN2O5/c1-6-4-15(12(18)14-11(6)17)10-3-8(13)9(20-10)5-19-7(2)16/h4,8-10H,3,5H2,1-2H3,(H,14,17,18)/t8-,9+,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.6427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.259 g/mol  logS: -1.43721  SlogP: 0.8781  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101925  Sterimol/B1: 2.22087  Sterimol/B2: 3.60664  Sterimol/B3: 4.75347
  Sterimol/B4: 5.88591  Sterimol/L: 14.9006 
 
 Surface and Volume Properties
  Accessible surface: 500.302  Positive charged surface: 301.938  Negative charged surface: 198.364  Volume: 242.375
  Hydrophobic surface: 303.479  Hydrophilic surface: 196.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.