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ENAMINE-ZINC04987468

MMsINC code: MMs01572736

Type: Neutral
Formula: C18H14FN3O3S
SMILES:   S(CC(=O)Nc1cc(ccc1)C(=O)C)c1oc(nn1)-c1ccccc1F
InChI:   InChI=1/C18H14FN3O3S/c1-11(23)12-5-4-6-13(9-12)20-16(24)10-26-18-22-21-17(25-18)14-7-2-3-8-15(14)19/h2-9H,10H2,1H3,(H,20,24)

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Potential Energy
Epot(MMFF94)=81.1599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.392 g/mol  logS: -7.57873  SlogP: 3.8091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00806257  Sterimol/B1: 2.27017  Sterimol/B2: 2.53723  Sterimol/B3: 3.0213
  Sterimol/B4: 6.76243  Sterimol/L: 20.9925 
 
 Surface and Volume Properties
  Accessible surface: 624.621  Positive charged surface: 319.02  Negative charged surface: 305.601  Volume: 324.125
  Hydrophobic surface: 437.637  Hydrophilic surface: 186.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.