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CHEMDIV-ZINC05084960

 MMsINC code: MMs00988694
Type: Neutral
Formula: C18H17ClN2O3S
SMILES:   Clc1sc2cc(n(c2c1)CC(=O)Nc1ccccc1CC)C(OC)=O
InChI:   InChI=1/C18H17ClN2O3S/c1-3-11-6-4-5-7-12(11)20-17(22)10-21-13-9-16(19)25-15(13)8-14(21)18(23)24-2/h4-9H,3,10H2,1-2H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=71.5706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.864 g/mol  logS: -5.44366  SlogP: 4.61027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174051  Sterimol/B1: 2.21707  Sterimol/B2: 5.97851  Sterimol/B3: 6.42251
  Sterimol/B4: 6.84493  Sterimol/L: 14.6938 
 
 Surface and Volume Properties
  Accessible surface: 608.579  Positive charged surface: 315.482  Negative charged surface: 293.097  Volume: 336.875
  Hydrophobic surface: 529.502  Hydrophilic surface: 79.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.