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PUBCHEM-ZINC00682113

 MMsINC code: MMs02726601
Type: Neutral
Formula: C24H25N3O4S
SMILES:   S(=O)(=O)(N(C)c1ccccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1)C
InChI:   InChI=1/C24H25N3O4S/c1-27(32(2,30)31)22-15-9-7-13-20(22)24(29)26-21-14-8-6-12-19(21)23(28)25-17-16-18-10-4-3-5-11-18/h3-15H,16-17H2,1-2H3,(H,25,28)(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 451.547 g/mol  logS: -5.24393  SlogP: 3.30717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631352  Sterimol/B1: 2.80233  Sterimol/B2: 5.61089  Sterimol/B3: 6.47222
  Sterimol/B4: 6.62589  Sterimol/L: 19.1408 
 
 Surface and Volume Properties
  Accessible surface: 731.082  Positive charged surface: 426.292  Negative charged surface: 304.791  Volume: 422.375
  Hydrophobic surface: 637.335  Hydrophilic surface: 93.747
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.