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PUBCHEM-ZINC04126881

 MMsINC code: MMs03093123
Type: Neutral
Formula: C24H19N3O3S
SMILES:   S1CC(=O)N(C12c1c(NC2=O)cccc1)c1ccc(cc1)C(=O)NCc1ccccc1
InChI:   InChI=1/C24H19N3O3S/c28-21-15-31-24(19-8-4-5-9-20(19)26-23(24)30)27(21)18-12-10-17(11-13-18)22(29)25-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,29)(H,26,30)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.5 g/mol  logS: -6.71052  SlogP: 4.0794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113142  Sterimol/B1: 3.26178  Sterimol/B2: 4.53744  Sterimol/B3: 5.41819
  Sterimol/B4: 6.88627  Sterimol/L: 16.963 
 
 Surface and Volume Properties
  Accessible surface: 678.857  Positive charged surface: 362.422  Negative charged surface: 316.434  Volume: 391.625
  Hydrophobic surface: 501.144  Hydrophilic surface: 177.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.