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NCID-ZINC01660754

 MMsINC code: MMs02297993
Type: Neutral
Formula: C11H12FN3O5
SMILES:   FC1=CN(COC(=O)CCNC(=O)C=C)C(=O)NC1=O
InChI:   InChI=1/C11H12FN3O5/c1-2-8(16)13-4-3-9(17)20-6-15-5-7(12)10(18)14-11(15)19/h2,5H,1,3-4,6H2,(H,13,16)(H,14,18,19)

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Potential Energy
Epot(MMFF94)=-6.16788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.231 g/mol  logS: -1.36069  SlogP: -0.349  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0768343  Sterimol/B1: 3.47015  Sterimol/B2: 3.51917  Sterimol/B3: 3.67753
  Sterimol/B4: 5.06628  Sterimol/L: 15.7489 
 
 Surface and Volume Properties
  Accessible surface: 500.887  Positive charged surface: 282.712  Negative charged surface: 218.175  Volume: 237.5
  Hydrophobic surface: 249.698  Hydrophilic surface: 251.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.