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CHEMBLOCK-ZINC04577926

 MMsINC code: MMs00558792
Type: Neutral
Formula: C19H26ClNO4S
SMILES:   Clc1cc(S(=O)(=O)NCCOC23CC4CC(C2)CC(C3)C4)c(OC)cc1
InChI:   InChI=1/C19H26ClNO4S/c1-24-17-3-2-16(20)9-18(17)26(22,23)21-4-5-25-19-10-13-6-14(11-19)8-15(7-13)12-19/h2-3,9,13-15,21H,4-8,10-12H2,1H3/t13-,14+,15-,19-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.5687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.939 g/mol  logS: -4.97665  SlogP: 3.6123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11787  Sterimol/B1: 2.20038  Sterimol/B2: 4.17137  Sterimol/B3: 4.60139
  Sterimol/B4: 7.73726  Sterimol/L: 16.0231 
 
 Surface and Volume Properties
  Accessible surface: 618.56  Positive charged surface: 395.281  Negative charged surface: 223.279  Volume: 353.75
  Hydrophobic surface: 536.877  Hydrophilic surface: 81.683
 
 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.