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COMGENEX-ZINC04752767

 MMsINC code: MMs01157399
Type: Neutral
Formula: C19H19FN2OS
SMILES:   s1c2n(Cc3cc(F)ccc3)c(cc2cc1)C(=O)N1CCCCC1
InChI:   InChI=1/C19H19FN2OS/c20-16-6-4-5-14(11-16)13-22-17(12-15-7-10-24-19(15)22)18(23)21-8-2-1-3-9-21/h4-7,10-12H,1-3,8-9,13H2

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Potential Energy
Epot(MMFF94)=82.3338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.438 g/mol  logS: -4.99713  SlogP: 4.7827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0757623  Sterimol/B1: 3.04435  Sterimol/B2: 3.92897  Sterimol/B3: 4.37599
  Sterimol/B4: 7.98809  Sterimol/L: 14.8439 
 
 Surface and Volume Properties
  Accessible surface: 563.292  Positive charged surface: 327.39  Negative charged surface: 229.617  Volume: 320.75
  Hydrophobic surface: 536.515  Hydrophilic surface: 26.777
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.