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PUBCHEM-ZINC05843489

 MMsINC code: MMs03412125
Type: Neutral
Formula: C14H9ClN2O3S
SMILES:   Clc1cc2c(N(C(=O)N)C(=O)C2C(=O)c2sccc2)cc1
InChI:   InChI=1/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,11H,(H2,16,20)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=35.9914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.756 g/mol  logS: -4.51414  SlogP: 2.7933  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0623167  Sterimol/B1: 2.97281  Sterimol/B2: 3.96209  Sterimol/B3: 5.99265
  Sterimol/B4: 6.16407  Sterimol/L: 13.4454 
 
 Surface and Volume Properties
  Accessible surface: 492.783  Positive charged surface: 204.856  Negative charged surface: 287.927  Volume: 258.75
  Hydrophobic surface: 346.464  Hydrophilic surface: 146.319
 
 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.