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PUBCHEM-ZINC04802203

 MMsINC code: MMs03173460
Type: Neutral
Formula: C15H13ClFNO4S
SMILES:   Clc1ccc(cc1)CC(NS(=O)(=O)c1ccc(F)cc1)C(O)=O
InChI:   InChI=1/C15H13ClFNO4S/c16-11-3-1-10(2-4-11)9-14(15(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h1-8,14,18H,9H2,(H,19,20)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=34.8459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.789 g/mol  logS: -4.07734  SlogP: 2.45327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.336223  Sterimol/B1: 2.6502  Sterimol/B2: 2.94965  Sterimol/B3: 5.93005
  Sterimol/B4: 6.51663  Sterimol/L: 12.4289 
 
 Surface and Volume Properties
  Accessible surface: 493.908  Positive charged surface: 219.42  Negative charged surface: 274.487  Volume: 291.75
  Hydrophobic surface: 340.239  Hydrophilic surface: 153.669
 
 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


MMs03173461
PUBCHEM-ZINC04802203