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NCID-ZINC05437167

 MMsINC code: MMs02461747
Type: Neutral
Formula: C10H13FN2O6
SMILES:   FC1=CN(C2OC(CO)C(O)C2OC)C(=O)NC1=O
InChI:   InChI=1/C10H13FN2O6/c1-18-7-6(15)5(3-14)19-9(7)13-2-4(11)8(16)12-10(13)17/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)=53.4964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.22 g/mol  logS: -0.60607  SlogP: -1.4489  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130669  Sterimol/B1: 1.97811  Sterimol/B2: 2.40768  Sterimol/B3: 4.67816
  Sterimol/B4: 7.39511  Sterimol/L: 12.3961 
 
 Surface and Volume Properties
  Accessible surface: 448.782  Positive charged surface: 299.845  Negative charged surface: 148.938  Volume: 220.125
  Hydrophobic surface: 238.117  Hydrophilic surface: 210.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.