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NCID-ZINC01583181

 MMsINC code: MMs02240076
Type: Neutral
Formula: C17H18ClNO4S
SMILES:   Clc1c(C)c(N(S(=O)(=O)c2ccccc2)CC(O)=O)c(cc1C)C
InChI:   InChI=1/C17H18ClNO4S/c1-11-9-12(2)17(13(3)16(11)18)19(10-15(20)21)24(22,23)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=91.1129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.853 g/mol  logS: -4.33384  SlogP: 3.54516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240782  Sterimol/B1: 2.42923  Sterimol/B2: 4.65455  Sterimol/B3: 6.19729
  Sterimol/B4: 6.46138  Sterimol/L: 13.7441 
 
 Surface and Volume Properties
  Accessible surface: 546.357  Positive charged surface: 280.117  Negative charged surface: 266.24  Volume: 319.625
  Hydrophobic surface: 422.943  Hydrophilic surface: 123.414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02240077
NCID-ZINC01583181