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VITASM-ZINC04741054

 MMsINC code: MMs03963713
Type: Neutral
Formula: C15H14ClNO5S
SMILES:   Clc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(O)=O
InChI:   InChI=1/C15H14ClNO5S/c16-13-8-12(6-7-14(13)22-10-15(18)19)23(20,21)17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=35.3355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.798 g/mol  logS: -3.77127  SlogP: 2.5483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668829  Sterimol/B1: 3.15643  Sterimol/B2: 4.06628  Sterimol/B3: 5.07986
  Sterimol/B4: 6.7343  Sterimol/L: 17.8247 
 
 Surface and Volume Properties
  Accessible surface: 585.436  Positive charged surface: 276.649  Negative charged surface: 308.787  Volume: 294.25
  Hydrophobic surface: 395.972  Hydrophilic surface: 189.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs03963714
VITASM-ZINC04741054