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ENAMINE-ZINC06557878

 MMsINC code: MMs01673393
Type: Neutral
Formula: C18H15ClN2O4S
SMILES:   Clc1c2c(cccc2)c(OCC(=O)Nc2ccc(S(=O)(=O)N)cc2)cc1
InChI:   InChI=1/C18H15ClN2O4S/c19-16-9-10-17(15-4-2-1-3-14(15)16)25-11-18(22)21-12-5-7-13(8-6-12)26(20,23)24/h1-10H,11H2,(H,21,22)(H2,20,23,24)

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Potential Energy
Epot(MMFF94)=79.7416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.847 g/mol  logS: -6.27047  SlogP: 3.1581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148707  Sterimol/B1: 2.53655  Sterimol/B2: 3.14748  Sterimol/B3: 3.26015
  Sterimol/B4: 7.49973  Sterimol/L: 19.6603 
 
 Surface and Volume Properties
  Accessible surface: 624.54  Positive charged surface: 296.611  Negative charged surface: 316.857  Volume: 327.375
  Hydrophobic surface: 446.965  Hydrophilic surface: 177.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01673394
ENAMINE-ZINC06557878