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PUBCHEM-ZINC02876239

 MMsINC code: MMs02950594
Type: Neutral
Formula: C23H23N3O4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1)C
InChI:   InChI=1/C23H23N3O4S/c1-31(29,30)26-21-14-8-6-12-19(21)23(28)25-20-13-7-5-11-18(20)22(27)24-16-15-17-9-3-2-4-10-17/h2-14,26H,15-16H2,1H3,(H,24,27)(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.52 g/mol  logS: -5.16835  SlogP: 3.28287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0353272  Sterimol/B1: 2.62287  Sterimol/B2: 4.71145  Sterimol/B3: 5.8823
  Sterimol/B4: 7.3362  Sterimol/L: 19.7437 
 
 Surface and Volume Properties
  Accessible surface: 719.468  Positive charged surface: 393.699  Negative charged surface: 325.769  Volume: 401.875
  Hydrophobic surface: 588.378  Hydrophilic surface: 131.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.