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CHEMBLOCK-ZINC04784892

 MMsINC code: MMs00580038
Type: Neutral
Formula: C11H9FN4O3
SMILES:   Fc1ccc(NC(=O)c2n(ncc2[N+](=O)[O-])C)cc1
InChI:   InChI=1/C11H9FN4O3/c1-15-10(9(6-13-15)16(18)19)11(17)14-8-4-2-7(12)3-5-8/h2-6H,1H3,(H,14,17)

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Potential Energy
Epot(MMFF94)=52.177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.216 g/mol  logS: -2.92305  SlogP: 2.0789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0992208  Sterimol/B1: 2.14404  Sterimol/B2: 3.0805  Sterimol/B3: 3.74114
  Sterimol/B4: 7.62195  Sterimol/L: 13.6887 
 
 Surface and Volume Properties
  Accessible surface: 448.919  Positive charged surface: 239.569  Negative charged surface: 209.35  Volume: 218.125
  Hydrophobic surface: 320.019  Hydrophilic surface: 128.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.