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ASINEX-ZINC03883147

 MMsINC code: MMs00291819
Type: Neutral
Formula: C15H14ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(O)=O)cc1
InChI:   InChI=1/C15H14ClNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=38.0028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.799 g/mol  logS: -3.78236  SlogP: 2.31417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137015  Sterimol/B1: 2.90681  Sterimol/B2: 3.82781  Sterimol/B3: 4.46958
  Sterimol/B4: 5.6237  Sterimol/L: 15.7198 
 
 Surface and Volume Properties
  Accessible surface: 523.878  Positive charged surface: 239.568  Negative charged surface: 284.309  Volume: 289
  Hydrophobic surface: 394.203  Hydrophilic surface: 129.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  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


MMs00291820
ASINEX-ZINC03883147