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NCID-ZINC04963495

 MMsINC code: MMs02420139
Type: Neutral
Formula: C7H8FN5O4
SMILES:   FCCN(N=O)C(=O)NC1=CNC(=O)NC1=O
InChI:   InChI=1/C7H8FN5O4/c8-1-2-13(12-17)7(16)10-4-3-9-6(15)11-5(4)14/h3H,1-2H2,(H,10,16)(H2,9,11,14,15)

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Potential Energy
Epot(MMFF94)=23.964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.17 g/mol  logS: -1.24943  SlogP: -0.6703  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0948627  Sterimol/B1: 2.4791  Sterimol/B2: 3.16045  Sterimol/B3: 3.90569
  Sterimol/B4: 4.86692  Sterimol/L: 13.289 
 
 Surface and Volume Properties
  Accessible surface: 409.88  Positive charged surface: 212.455  Negative charged surface: 197.424  Volume: 183.75
  Hydrophobic surface: 183.085  Hydrophilic surface: 226.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.