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ASINEX-ZINC00364421

 MMsINC code: MMs00124668
Type: Neutral
Formula: C14H8FN3O3
SMILES:   Fc1ccc(cc1)-c1nc(on1)-c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C14H8FN3O3/c15-11-5-1-9(2-6-11)13-16-14(21-17-13)10-3-7-12(8-4-10)18(19)20/h1-8H

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Potential Energy
Epot(MMFF94)=86.5362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.234 g/mol  logS: -7.12278  SlogP: 3.4509  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.03451e-07  Sterimol/B1: 2.09899  Sterimol/B2: 2.10067  Sterimol/B3: 2.5248
  Sterimol/B4: 5.4942  Sterimol/L: 17.1496 
 
 Surface and Volume Properties
  Accessible surface: 482.142  Positive charged surface: 195.649  Negative charged surface: 286.493  Volume: 239.25
  Hydrophobic surface: 351.536  Hydrophilic surface: 130.606
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.