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CHEMBLOCK-ZINC00089089

 MMsINC code: MMs00495918
Type: Neutral
Formula: C8H10FN3O3
SMILES:   FC1=CN(CCC(OC)=O)C(=O)N=C1N
InChI:   InChI=1/C8H10FN3O3/c1-15-6(13)2-3-12-4-5(9)7(10)11-8(12)14/h4H,2-3H2,1H3,(H2,10,11,14)

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Potential Energy
Epot(MMFF94)=12.603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.184 g/mol  logS: -1.18715  SlogP: 0.2621  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0482942  Sterimol/B1: 2.34849  Sterimol/B2: 3.46499  Sterimol/B3: 3.59802
  Sterimol/B4: 4.13977  Sterimol/L: 14.0961 
 
 Surface and Volume Properties
  Accessible surface: 406.791  Positive charged surface: 270.446  Negative charged surface: 136.345  Volume: 181.25
  Hydrophobic surface: 227.426  Hydrophilic surface: 179.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.