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ENAMINE-ZINC03509767

 MMsINC code: MMs01481971
Type: Neutral
Formula: C16H12F2N2O6
SMILES:   Fc1cc(NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])ccc1F
InChI:   InChI=1/C16H12F2N2O6/c17-11-6-5-10(7-12(11)18)19-15(21)8-26-16(22)9-25-14-4-2-1-3-13(14)20(23)24/h1-7H,8-9H2,(H,19,21)

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Potential Energy
Epot(MMFF94)=109.208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.276 g/mol  logS: -5.22005  SlogP: 2.4337  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00937509  Sterimol/B1: 2.50945  Sterimol/B2: 2.91255  Sterimol/B3: 3.26087
  Sterimol/B4: 5.94924  Sterimol/L: 19.4771 
 
 Surface and Volume Properties
  Accessible surface: 597.581  Positive charged surface: 291.733  Negative charged surface: 305.848  Volume: 295
  Hydrophobic surface: 434.813  Hydrophilic surface: 162.768
 
 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.