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ASINEX-ZINC00848890

 MMsINC code: MMs00191355
Type: Neutral
Formula: C16H13ClO6S
SMILES:   Clc1cc(S(=O)(=O)c2cc(OC(=O)C)ccc2OC(=O)C)ccc1
InChI:   InChI=1/C16H13ClO6S/c1-10(18)22-13-6-7-15(23-11(2)19)16(9-13)24(20,21)14-5-3-4-12(17)8-14/h3-9H,1-2H3

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Potential Energy
Epot(MMFF94)=80.4478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.793 g/mol  logS: -4.79076  SlogP: 3.0234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104761  Sterimol/B1: 3.22285  Sterimol/B2: 4.60312  Sterimol/B3: 6.08357
  Sterimol/B4: 6.40048  Sterimol/L: 14.0574 
 
 Surface and Volume Properties
  Accessible surface: 566.736  Positive charged surface: 246.342  Negative charged surface: 320.394  Volume: 305.875
  Hydrophobic surface: 443.655  Hydrophilic surface: 123.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.