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CHEMDIV-ZINC06750697

 MMsINC code: MMs01013497
Type: Neutral
Formula: C18H17ClN2O3S
SMILES:   Clc1cc(NC(=O)C(n2c3c(scc3)cc2C(OC)=O)C)c(cc1)C
InChI:   InChI=1/C18H17ClN2O3S/c1-10-4-5-12(19)8-13(10)20-17(22)11(2)21-14-6-7-25-16(14)9-15(21)18(23)24-3/h4-9,11H,1-3H3,(H,20,22)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=79.5062 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.864 g/mol  logS: -4.94439  SlogP: 4.74642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202057  Sterimol/B1: 2.45433  Sterimol/B2: 4.64884  Sterimol/B3: 7.51211
  Sterimol/B4: 7.73209  Sterimol/L: 13.9003 
 
 Surface and Volume Properties
  Accessible surface: 608.011  Positive charged surface: 311.969  Negative charged surface: 296.043  Volume: 333.75
  Hydrophobic surface: 533.117  Hydrophilic surface: 74.894
 
 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.