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PUBCHEM-ZINC00740396

 MMsINC code: MMs02735167
Type: Neutral
Formula: C24H25Cl2N3O3S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1n(ccc1)C)C1CC1
InChI:   InChI=1/C24H25Cl2N3O3S/c1-27-13-5-8-21(27)16-28(15-18-6-3-2-4-7-18)24(30)17-29(20-10-11-20)33(31,32)23-14-19(25)9-12-22(23)26/h2-9,12-14,20H,10-11,15-17H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.49 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 506.454 g/mol  logS: -5.41193  SlogP: 5.606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142177  Sterimol/B1: 1.969  Sterimol/B2: 3.29281  Sterimol/B3: 6.49716
  Sterimol/B4: 8.996  Sterimol/L: 16.9097 
 
 Surface and Volume Properties
  Accessible surface: 700.194  Positive charged surface: 369.6  Negative charged surface: 330.593  Volume: 453.375
  Hydrophobic surface: 598.718  Hydrophilic surface: 101.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.