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MAYBRIDGE-ZINC00140636

 MMsINC code: MMs02139415
Type: Neutral
Formula: C12H10ClNO4S2
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccsc2C(OC)=O)cc1
InChI:   InChI=1/C12H10ClNO4S2/c1-18-12(15)11-10(6-7-19-11)14-20(16,17)9-4-2-8(13)3-5-9/h2-7,14H,1H3

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Potential Energy
Epot(MMFF94)=33.8742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.8 g/mol  logS: -3.96941  SlogP: 2.9889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.254416  Sterimol/B1: 2.92947  Sterimol/B2: 3.95879  Sterimol/B3: 5.483
  Sterimol/B4: 7.16831  Sterimol/L: 12.8633 
 
 Surface and Volume Properties
  Accessible surface: 503.784  Positive charged surface: 226.361  Negative charged surface: 277.424  Volume: 258.625
  Hydrophobic surface: 397.974  Hydrophilic surface: 105.81
 
 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.