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ASINEX-ZINC00470387

 MMsINC code: MMs00136415
Type: Neutral
Formula: C12H10ClNO4S2
SMILES:   Clc1sc(S(=O)(=O)Nc2ccc(cc2)C(OC)=O)cc1
InChI:   InChI=1/C12H10ClNO4S2/c1-18-12(15)8-2-4-9(5-3-8)14-20(16,17)11-7-6-10(13)19-11/h2-7,14H,1H3

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Potential Energy
Epot(MMFF94)=51.6777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.8 g/mol  logS: -4.43901  SlogP: 2.9889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142814  Sterimol/B1: 3.47567  Sterimol/B2: 4.49747  Sterimol/B3: 4.71292
  Sterimol/B4: 5.22261  Sterimol/L: 14.0994 
 
 Surface and Volume Properties
  Accessible surface: 515.875  Positive charged surface: 237.707  Negative charged surface: 278.168  Volume: 259.75
  Hydrophobic surface: 390.513  Hydrophilic surface: 125.362
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.