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ASINEX-ZINC00795379

 MMsINC code: MMs00167157
Type: Neutral
Formula: C17H15ClN2O3S2
SMILES:   Clc1c2c(sc1C(=O)NCCc1ccc(S(=O)(=O)N)cc1)cccc2
InChI:   InChI=1/C17H15ClN2O3S2/c18-15-13-3-1-2-4-14(13)24-16(15)17(21)20-10-9-11-5-7-12(8-6-11)25(19,22)23/h1-8H,9-10H2,(H,20,21)(H2,19,22,23)

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Potential Energy
Epot(MMFF94)=33.2193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.903 g/mol  logS: -5.97463  SlogP: 3.17457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260395  Sterimol/B1: 3.61733  Sterimol/B2: 3.61832  Sterimol/B3: 4.54608
  Sterimol/B4: 4.56459  Sterimol/L: 20.8418 
 
 Surface and Volume Properties
  Accessible surface: 627.666  Positive charged surface: 287.775  Negative charged surface: 334.355  Volume: 332.375
  Hydrophobic surface: 456.617  Hydrophilic surface: 171.049
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00167158
ASINEX-ZINC00795379