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IBS-ZINC00495136

 MMsINC code: MMs01739613
Type: Neutral
Formula: C19H19FN2O2
SMILES:   Fc1ccc(cc1)-c1c[nH]nc1-c1cc(CCC)c(OC)cc1O
InChI:   InChI=1/C19H19FN2O2/c1-3-4-13-9-15(17(23)10-18(13)24-2)19-16(11-21-22-19)12-5-7-14(20)8-6-12/h5-11,23H,3-4H2,1-2H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=82.0366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.371 g/mol  logS: -5.8168  SlogP: 4.54947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228894  Sterimol/B1: 2.26314  Sterimol/B2: 2.40714  Sterimol/B3: 6.41635
  Sterimol/B4: 8.57506  Sterimol/L: 13.1587 
 
 Surface and Volume Properties
  Accessible surface: 577.203  Positive charged surface: 382.822  Negative charged surface: 194.382  Volume: 314.75
  Hydrophobic surface: 428.753  Hydrophilic surface: 148.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.