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ENAMINE-ZINC03523596

 MMsINC code: MMs01490393
Type: Neutral
Formula: C19H20ClNO4S
SMILES:   Clc1ccccc1OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChI:   InChI=1/C19H20ClNO4S/c20-17-6-2-3-7-19(17)25-14-18(22)15-8-10-16(11-9-15)26(23,24)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.7348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.891 g/mol  logS: -4.93651  SlogP: 3.7763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.038339  Sterimol/B1: 2.49934  Sterimol/B2: 3.84754  Sterimol/B3: 4.17536
  Sterimol/B4: 6.77603  Sterimol/L: 19.2816 
 
 Surface and Volume Properties
  Accessible surface: 634.679  Positive charged surface: 342.361  Negative charged surface: 292.318  Volume: 349
  Hydrophobic surface: 542.872  Hydrophilic surface: 91.807
 
 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.