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CHEMBLOCK-ZINC01432483

 MMsINC code: MMs00524477
Type: Neutral
Formula: C12H11FN4O3
SMILES:   Fc1cc(NC(=O)c2nn(cc2[N+](=O)[O-])CC)ccc1
InChI:   InChI=1/C12H11FN4O3/c1-2-16-7-10(17(19)20)11(15-16)12(18)14-9-5-3-4-8(13)6-9/h3-7H,2H2,1H3,(H,14,18)

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Potential Energy
Epot(MMFF94)=67.5443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.243 g/mol  logS: -3.25026  SlogP: 2.469  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0434629  Sterimol/B1: 2.18475  Sterimol/B2: 2.40942  Sterimol/B3: 3.6882
  Sterimol/B4: 7.84569  Sterimol/L: 14.4272 
 
 Surface and Volume Properties
  Accessible surface: 487.163  Positive charged surface: 257.819  Negative charged surface: 229.344  Volume: 235.375
  Hydrophobic surface: 324.974  Hydrophilic surface: 162.189
 
 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.