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PUBCHEM-ZINC06581616

 MMsINC code: MMs03807715
Type: Neutral
Formula: C17H14ClNO3S
SMILES:   Clc1ccc(cc1)C(O)c1ccn(S(=O)(=O)c2ccccc2)c1
InChI:   InChI=1/C17H14ClNO3S/c18-15-8-6-13(7-9-15)17(20)14-10-11-19(12-14)23(21,22)16-4-2-1-3-5-16/h1-12,17,20H/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=90.7226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.822 g/mol  logS: -4.04227  SlogP: 3.5557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17326  Sterimol/B1: 3.38972  Sterimol/B2: 3.82564  Sterimol/B3: 4.36083
  Sterimol/B4: 6.81918  Sterimol/L: 12.7712 
 
 Surface and Volume Properties
  Accessible surface: 557.935  Positive charged surface: 229.432  Negative charged surface: 328.503  Volume: 301.375
  Hydrophobic surface: 436.782  Hydrophilic surface: 121.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.