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NCID-ZINC05461896

 MMsINC code: MMs02464050
Type: Neutral
Formula: C8H11FN4O4
SMILES:   FCCN(N=O)C(=O)NC1CCC(=O)NC1=O
InChI:   InChI=1/C8H11FN4O4/c9-3-4-13(12-17)8(16)10-5-1-2-6(14)11-7(5)15/h5H,1-4H2,(H,10,16)(H,11,14,15)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=17.6631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.198 g/mol  logS: -1.15378  SlogP: -0.5459  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0903709  Sterimol/B1: 2.45669  Sterimol/B2: 3.35177  Sterimol/B3: 3.86525
  Sterimol/B4: 5.12668  Sterimol/L: 13.8723 
 
 Surface and Volume Properties
  Accessible surface: 423.051  Positive charged surface: 236.593  Negative charged surface: 186.458  Volume: 194.5
  Hydrophobic surface: 235.463  Hydrophilic surface: 187.588
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.