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ENAMINE-ZINC01463790

 MMsINC code: MMs01240869
Type: Neutral
Formula: C14H11FN2O2
SMILES:   Fc1ccc(cc1)\C=N\NC(=O)c1cc(O)ccc1
InChI:   InChI=1/C14H11FN2O2/c15-12-6-4-10(5-7-12)9-16-17-14(19)11-2-1-3-13(18)8-11/h1-9,18H,(H,17,19)/b16-9+

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Potential Energy
Epot(MMFF94)=73.6825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.252 g/mol  logS: -3.47118  SlogP: 2.2952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00115675  Sterimol/B1: 2.16836  Sterimol/B2: 2.17881  Sterimol/B3: 2.53725
  Sterimol/B4: 5.57344  Sterimol/L: 16.6908 
 
 Surface and Volume Properties
  Accessible surface: 486.75  Positive charged surface: 255.607  Negative charged surface: 231.143  Volume: 236.25
  Hydrophobic surface: 361.372  Hydrophilic surface: 125.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.