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CHEMDIV-ZINC03007818

 MMsINC code: MMs00901240
Type: Neutral
Formula: C23H21ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)c2ccc(cc2NC(=O)C)C(=O)NCc2ccc(cc2)C)cc1
InChI:   InChI=1/C23H21ClN2O4S/c1-15-3-5-17(6-4-15)14-25-23(28)18-7-12-22(21(13-18)26-16(2)27)31(29,30)20-10-8-19(24)9-11-20/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.7821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.95 g/mol  logS: -6.68112  SlogP: 4.63602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0596039  Sterimol/B1: 3.74523  Sterimol/B2: 4.56469  Sterimol/B3: 4.94241
  Sterimol/B4: 6.52493  Sterimol/L: 20.0755 
 
 Surface and Volume Properties
  Accessible surface: 708.503  Positive charged surface: 333.098  Negative charged surface: 375.405  Volume: 406.625
  Hydrophobic surface: 570.952  Hydrophilic surface: 137.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.