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PUBCHEM-ZINC05159535

 MMsINC code: MMs03215353
Type: Neutral
Formula: C11H14FN3O4
SMILES:   FC1=CN(C(=O)NCCCCC(=O)C)C(=O)NC1=O
InChI:   InChI=1/C11H14FN3O4/c1-7(16)4-2-3-5-13-10(18)15-6-8(12)9(17)14-11(15)19/h6H,2-5H2,1H3,(H,13,18)(H,14,17,19)

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Potential Energy
Epot(MMFF94)=16.1803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.248 g/mol  logS: -1.549  SlogP: 0.9269  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0138656  Sterimol/B1: 2.32593  Sterimol/B2: 2.50941  Sterimol/B3: 3.91724
  Sterimol/B4: 4.60916  Sterimol/L: 17.3591 
 
 Surface and Volume Properties
  Accessible surface: 494.869  Positive charged surface: 291.375  Negative charged surface: 203.494  Volume: 231.875
  Hydrophobic surface: 291.792  Hydrophilic surface: 203.077
 
 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.