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ASINEX-ZINC00208851

MMsINC code: MMs00092704

Type: Neutral
Formula: C14H19ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCC(CC2)C(=O)NCC)cc1
InChI:   InChI=1/C14H19ClN2O3S/c1-2-16-14(18)11-7-9-17(10-8-11)21(19,20)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=19.4798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.836 g/mol  logS: -2.84137  SlogP: 1.8768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0538174  Sterimol/B1: 3.05011  Sterimol/B2: 3.43523  Sterimol/B3: 4.70262
  Sterimol/B4: 5.27071  Sterimol/L: 18.2591 
 
 Surface and Volume Properties
  Accessible surface: 550.792  Positive charged surface: 318.032  Negative charged surface: 232.76  Volume: 291.5
  Hydrophobic surface: 437.106  Hydrophilic surface: 113.686
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.