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MAYBRIDGE-ZINC04351654

 MMsINC code: MMs02170553
Type: Neutral
Formula: C16H12ClNO3S
SMILES:   Clc1ccc(S(=O)(=NC(=O)c2oc3c(c2)cccc3)C)cc1
InChI:   InChI=1/C16H12ClNO3S/c1-22(20,13-8-6-12(17)7-9-13)18-16(19)15-10-11-4-2-3-5-14(11)21-15/h2-10H,1H3/t22-/m1/s1

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Potential Energy
Epot(MMFF94)=65.3914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.795 g/mol  logS: -5.95399  SlogP: 4.4884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465498  Sterimol/B1: 2.43727  Sterimol/B2: 2.46675  Sterimol/B3: 4.348
  Sterimol/B4: 8.63306  Sterimol/L: 15.4632 
 
 Surface and Volume Properties
  Accessible surface: 542.925  Positive charged surface: 232.258  Negative charged surface: 305.304  Volume: 283.625
  Hydrophobic surface: 472.837  Hydrophilic surface: 70.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 1  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.