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ENAMINE-ZINC01183419

 MMsINC code: MMs01238890
Type: Neutral
Formula: C16H17ClN2O3S
SMILES:   Clc1ccc(cc1)CC(=O)NCCc1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C16H17ClN2O3S/c17-14-5-1-13(2-6-14)11-16(20)19-10-9-12-3-7-15(8-4-12)23(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.6179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.842 g/mol  logS: -4.38275  SlogP: 1.88874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0591316  Sterimol/B1: 2.43523  Sterimol/B2: 3.20292  Sterimol/B3: 4.8168
  Sterimol/B4: 5.07483  Sterimol/L: 20.1832 
 
 Surface and Volume Properties
  Accessible surface: 606.194  Positive charged surface: 312.182  Negative charged surface: 294.012  Volume: 308
  Hydrophobic surface: 431.15  Hydrophilic surface: 175.044
 
 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


MMs01238891
ENAMINE-ZINC01183419