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CHEMDIV-ZINC06804128

 MMsINC code: MMs01031310
Type: Neutral
Formula: C19H23ClN2O2S
SMILES:   Clc1ccc(S(=O)(=O)NC2CCCCC2Nc2ccccc2C)cc1
InChI:   InChI=1/C19H23ClN2O2S/c1-14-6-2-3-7-17(14)21-18-8-4-5-9-19(18)22-25(23,24)16-12-10-15(20)11-13-16/h2-3,6-7,10-13,18-19,21-22H,4-5,8-9H2,1H3/t18-,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.0625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.924 g/mol  logS: -4.66434  SlogP: 4.35002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223099  Sterimol/B1: 2.6406  Sterimol/B2: 3.79841  Sterimol/B3: 5.53889
  Sterimol/B4: 9.52565  Sterimol/L: 12.8771 
 
 Surface and Volume Properties
  Accessible surface: 576.09  Positive charged surface: 304.46  Negative charged surface: 271.63  Volume: 352
  Hydrophobic surface: 503.11  Hydrophilic surface: 72.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.