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PUBCHEM-ZINC06521394

 MMsINC code: MMs03779783
Type: Neutral
Formula: C10H13FN2O5
SMILES:   FC1C(O)C(OC1CO)N1C=C(C)C(=O)NC1=O
InChI:   InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-7(15)6(11)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)=44.2045 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: 0.0948729  Sterimol/B1: 2.7302  Sterimol/B2: 3.23507  Sterimol/B3: 3.5282
  Sterimol/B4: 6.85791  Sterimol/L: 11.3419 
 
 Surface and Volume Properties
  Accessible surface: 429.867  Positive charged surface: 273.3  Negative charged surface: 156.566  Volume: 211.625
  Hydrophobic surface: 184.363  Hydrophilic surface: 245.504
 
 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.