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ASINEX-ZINC01381265

 MMsINC code: MMs00253095
Type: Neutral
Formula: C19H20FNO3S
SMILES:   s1cccc1C(OC(C(=O)NC1CCCCC1)c1ccccc1F)=O
InChI:   InChI=1/C19H20FNO3S/c20-15-10-5-4-9-14(15)17(24-19(23)16-11-6-12-25-16)18(22)21-13-7-2-1-3-8-13/h4-6,9-13,17H,1-3,7-8H2,(H,21,22)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=53.4887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.437 g/mol  logS: -5.27987  SlogP: 4.3297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102212  Sterimol/B1: 2.62943  Sterimol/B2: 3.45273  Sterimol/B3: 4.99563
  Sterimol/B4: 7.7442  Sterimol/L: 17.0994 
 
 Surface and Volume Properties
  Accessible surface: 612.031  Positive charged surface: 337.071  Negative charged surface: 274.961  Volume: 331.875
  Hydrophobic surface: 549.985  Hydrophilic surface: 62.046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.