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ASINEX-ZINC04971368

 MMsINC code: MMs00418977
Type: Neutral
Formula: C21H23FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)N(C)C1CCCCC1
InChI:   InChI=1/C21H23FN2OS/c1-23(17-5-3-2-4-6-17)21(25)19-13-20-18(11-12-26-20)24(19)14-15-7-9-16(22)10-8-15/h7-13,17H,2-6,14H2,1H3

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Potential Energy
Epot(MMFF94)=90.932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.492 g/mol  logS: -4.91842  SlogP: 5.5613  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0830263  Sterimol/B1: 2.24302  Sterimol/B2: 4.54084  Sterimol/B3: 4.88763
  Sterimol/B4: 7.72174  Sterimol/L: 15.2133 
 
 Surface and Volume Properties
  Accessible surface: 604.44  Positive charged surface: 354.404  Negative charged surface: 250.036  Volume: 354.625
  Hydrophobic surface: 576.476  Hydrophilic surface: 27.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.