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ENAMINE-ZINC03261272

 MMsINC code: MMs01336898
Type: Neutral
Formula: C19H15FN2O2
SMILES:   Fc1ccccc1C(=O)NNC(=C)c1ccc2c(cccc2)c1O
InChI:   InChI=1/C19H15FN2O2/c1-12(21-22-19(24)16-8-4-5-9-17(16)20)14-11-10-13-6-2-3-7-15(13)18(14)23/h2-11,21,23H,1H2,(H,22,24)

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Potential Energy
Epot(MMFF94)=107.91 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.339 g/mol  logS: -5.36889  SlogP: 3.5898  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0328387  Sterimol/B1: 2.26777  Sterimol/B2: 2.52246  Sterimol/B3: 3.82125
  Sterimol/B4: 6.26444  Sterimol/L: 18.5876 
 
 Surface and Volume Properties
  Accessible surface: 563.391  Positive charged surface: 287.253  Negative charged surface: 266.514  Volume: 301
  Hydrophobic surface: 441.719  Hydrophilic surface: 121.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.