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ASINEX-ZINC06679247

 MMsINC code: MMs00443343
Type: Neutral
Formula: C18H18FN3O4S
SMILES:   s1c2c(N(CC(=O)Nc3cc(F)ccc3)C(=O)N(CCCOC)C2=O)cc1
InChI:   InChI=1/C18H18FN3O4S/c1-26-8-3-7-21-17(24)16-14(6-9-27-16)22(18(21)25)11-15(23)20-13-5-2-4-12(19)10-13/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=51.38 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.423 g/mol  logS: -4.16841  SlogP: 2.9446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0647735  Sterimol/B1: 2.51923  Sterimol/B2: 3.04256  Sterimol/B3: 4.46873
  Sterimol/B4: 8.74868  Sterimol/L: 19.1745 
 
 Surface and Volume Properties
  Accessible surface: 637.011  Positive charged surface: 378.804  Negative charged surface: 258.207  Volume: 339.75
  Hydrophobic surface: 530.385  Hydrophilic surface: 106.626
 
 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.