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PUBCHEM-ZINC06522665

 MMsINC code: MMs03780944
Type: Neutral
Formula: C18H15Cl2NO3S
SMILES:   Clc1cc(Cl)ccc1C(O)c1ccn(S(=O)(=O)c2ccc(cc2)C)c1
InChI:   InChI=1/C18H15Cl2NO3S/c1-12-2-5-15(6-3-12)25(23,24)21-9-8-13(11-21)18(22)16-7-4-14(19)10-17(16)20/h2-11,18,22H,1H3/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=91.8567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.294 g/mol  logS: -5.25048  SlogP: 4.51752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146468  Sterimol/B1: 3.19688  Sterimol/B2: 4.3917  Sterimol/B3: 5.0894
  Sterimol/B4: 7.74583  Sterimol/L: 13.8572 
 
 Surface and Volume Properties
  Accessible surface: 590.523  Positive charged surface: 234.937  Negative charged surface: 355.587  Volume: 336.75
  Hydrophobic surface: 471.408  Hydrophilic surface: 119.115
 
 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.