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ENAMINE-ZINC05262485

 MMsINC code: MMs01603835
Type: Neutral
Formula: C17H11ClN2O3S
SMILES:   Clc1nc2c(cc1CN1S(=O)(=O)c3c(cccc3)C1=O)cccc2
InChI:   InChI=1/C17H11ClN2O3S/c18-16-12(9-11-5-1-3-7-14(11)19-16)10-20-17(21)13-6-2-4-8-15(13)24(20,22)23/h1-9H,10H2

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Potential Energy
Epot(MMFF94)=53.6601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.805 g/mol  logS: -5.22846  SlogP: 3.4993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116958  Sterimol/B1: 2.69519  Sterimol/B2: 3.55924  Sterimol/B3: 4.38116
  Sterimol/B4: 7.0517  Sterimol/L: 15.2332 
 
 Surface and Volume Properties
  Accessible surface: 530.077  Positive charged surface: 239.857  Negative charged surface: 284.938  Volume: 293.875
  Hydrophobic surface: 414.663  Hydrophilic surface: 115.414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.