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ASINEX-ZINC04546068

 MMsINC code: MMs00351302
Type: Neutral
Formula: C6H6FN3O3
SMILES:   FC1=CN(CC(=O)N)C(=O)NC1=O
InChI:   InChI=1/C6H6FN3O3/c7-3-1-10(2-4(8)11)6(13)9-5(3)12/h1H,2H2,(H2,8,11)(H,9,12,13)

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Potential Energy
Epot(MMFF94)=8.95612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.13 g/mol  logS: -0.97486  SlogP: -1.0567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949597  Sterimol/B1: 2.56845  Sterimol/B2: 2.63715  Sterimol/B3: 3.60271
  Sterimol/B4: 5.14211  Sterimol/L: 11.1063 
 
 Surface and Volume Properties
  Accessible surface: 333.101  Positive charged surface: 185.951  Negative charged surface: 147.15  Volume: 143.75
  Hydrophobic surface: 105.283  Hydrophilic surface: 227.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.