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IFLAB-ZINC00064797

 MMsINC code: MMs01972468
Type: Neutral
Formula: C19H15ClO2S
SMILES:   Clc1ccc(cc1)C(=O)CC(Sc1ccccc1)c1occc1
InChI:   InChI=1/C19H15ClO2S/c20-15-10-8-14(9-11-15)17(21)13-19(18-7-4-12-22-18)23-16-5-2-1-3-6-16/h1-12,19H,13H2/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=82.4505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.846 g/mol  logS: -6.64121  SlogP: 6.1349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0571918  Sterimol/B1: 2.90547  Sterimol/B2: 3.10786  Sterimol/B3: 3.77112
  Sterimol/B4: 7.37318  Sterimol/L: 17.5945 
 
 Surface and Volume Properties
  Accessible surface: 571.281  Positive charged surface: 254.176  Negative charged surface: 317.105  Volume: 315.875
  Hydrophobic surface: 519.111  Hydrophilic surface: 52.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.