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NCID-ZINC01559310

 MMsINC code: MMs02222126
Type: Neutral
Formula: C14H11ClN2O3S2
SMILES:   Clc1ccc(S(=O)(=O)NC(=O)NC(=S)c2ccccc2)cc1
InChI:   InChI=1/C14H11ClN2O3S2/c15-11-6-8-12(9-7-11)22(19,20)17-14(18)16-13(21)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18,21)

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Potential Energy
Epot(MMFF94)=35.2674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.838 g/mol  logS: -5.79406  SlogP: 2.7036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106425  Sterimol/B1: 3.46187  Sterimol/B2: 4.44893  Sterimol/B3: 4.77491
  Sterimol/B4: 5.35008  Sterimol/L: 15.9853 
 
 Surface and Volume Properties
  Accessible surface: 553.373  Positive charged surface: 218.59  Negative charged surface: 334.783  Volume: 288.25
  Hydrophobic surface: 383.106  Hydrophilic surface: 170.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.