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PUBCHEM-ZINC06581882

 MMsINC code: MMs03807854
Type: Neutral
Formula: C17H15ClN2O3S
SMILES:   Clc1cc(S(=O)(=O)n2cc(cc2)C(O)c2ccccc2)c(N)cc1
InChI:   InChI=1/C17H15ClN2O3S/c18-14-6-7-15(19)16(10-14)24(22,23)20-9-8-13(11-20)17(21)12-4-2-1-3-5-12/h1-11,17,21H,19H2/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=107.76 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.837 g/mol  logS: -3.76315  SlogP: 3.1379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821055  Sterimol/B1: 3.82101  Sterimol/B2: 4.64884  Sterimol/B3: 4.65367
  Sterimol/B4: 4.96019  Sterimol/L: 16.1582 
 
 Surface and Volume Properties
  Accessible surface: 567.076  Positive charged surface: 246.904  Negative charged surface: 320.172  Volume: 310.75
  Hydrophobic surface: 415.955  Hydrophilic surface: 151.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.