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CHEMDIV-ZINC05084944

 MMsINC code: MMs00988689
Type: Neutral
Formula: C18H17ClN2O3S
SMILES:   Clc1sc2cc(n(c2c1)CC(=O)Nc1ccc(cc1C)C)C(OC)=O
InChI:   InChI=1/C18H17ClN2O3S/c1-10-4-5-12(11(2)6-10)20-17(22)9-21-13-8-16(19)25-15(13)7-14(21)18(23)24-3/h4-8H,9H2,1-3H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=73.9501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.864 g/mol  logS: -5.40236  SlogP: 4.66474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130197  Sterimol/B1: 2.42761  Sterimol/B2: 5.62823  Sterimol/B3: 5.65723
  Sterimol/B4: 7.45655  Sterimol/L: 15.6176 
 
 Surface and Volume Properties
  Accessible surface: 622.131  Positive charged surface: 325.737  Negative charged surface: 296.394  Volume: 337.5
  Hydrophobic surface: 558.359  Hydrophilic surface: 63.772
 
 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.