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CHEMBRIDGE-ZINC01829136

 MMsINC code: MMs00698868
Type: Neutral
Formula: C11H10F2N2O4
SMILES:   Fc1cc(N\C=C(\[N+](=O)[O-])/C(OCC)=O)ccc1F
InChI:   InChI=1/C11H10F2N2O4/c1-2-19-11(16)10(15(17)18)6-14-7-3-4-8(12)9(13)5-7/h3-6,14H,2H2,1H3/b10-6-

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Potential Energy
Epot(MMFF94)=62.1356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.207 g/mol  logS: -3.60551  SlogP: 2.0579  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00781879  Sterimol/B1: 2.38214  Sterimol/B2: 2.4473  Sterimol/B3: 4.32592
  Sterimol/B4: 4.60452  Sterimol/L: 16.0081 
 
 Surface and Volume Properties
  Accessible surface: 470.357  Positive charged surface: 223.472  Negative charged surface: 246.885  Volume: 219.125
  Hydrophobic surface: 327.645  Hydrophilic surface: 142.712
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs00698869
CHEMBRIDGE-ZINC01829136