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CHEMDIV-ZINC00423526

 MMsINC code: MMs00850417
Type: Neutral
Formula: C16H13ClN2O3S
SMILES:   Clc1cc(NS(=O)(=O)c2c3ncccc3ccc2)c(OC)cc1
InChI:   InChI=1/C16H13ClN2O3S/c1-22-14-8-7-12(17)10-13(14)19-23(20,21)15-6-2-4-11-5-3-9-18-16(11)15/h2-10,19H,1H3

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Potential Energy
Epot(MMFF94)=64.8233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.81 g/mol  logS: -4.41993  SlogP: 3.6976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.273736  Sterimol/B1: 2.44188  Sterimol/B2: 3.45949  Sterimol/B3: 5.43588
  Sterimol/B4: 8.57543  Sterimol/L: 11.3528 
 
 Surface and Volume Properties
  Accessible surface: 527.636  Positive charged surface: 279.993  Negative charged surface: 242.428  Volume: 295.625
  Hydrophobic surface: 445.687  Hydrophilic surface: 81.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.