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CHEMSTAR-ZINC01471073

 MMsINC code: MMs01078678
Type: Neutral
Formula: C23H23ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N(CC(O)Cn2c3c(c4c2cccc4)cccc3)CC)cc1
InChI:   InChI=1/C23H23ClN2O3S/c1-2-25(30(28,29)19-13-11-17(24)12-14-19)15-18(27)16-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,18,27H,2,15-16H2,1H3/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.967 g/mol  logS: -5.98233  SlogP: 4.786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553288  Sterimol/B1: 3.04082  Sterimol/B2: 3.85624  Sterimol/B3: 4.28965
  Sterimol/B4: 8.79859  Sterimol/L: 18.5401 
 
 Surface and Volume Properties
  Accessible surface: 677.624  Positive charged surface: 329.177  Negative charged surface: 337.189  Volume: 403.5
  Hydrophobic surface: 595.889  Hydrophilic surface: 81.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.