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ENAMINE-ZINC03480870

 MMsINC code: MMs01465960
Type: Neutral
Formula: C24H28N2O5S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(OCC(=O)NCCC=1CCCCC=1)=O
InChI:   InChI=1/C24H28N2O5S/c1-26(21-10-6-3-7-11-21)32(29,30)22-14-12-20(13-15-22)24(28)31-18-23(27)25-17-16-19-8-4-2-5-9-19/h3,6-8,10-15H,2,4-5,9,16-18H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.7803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.563 g/mol  logS: -5.64395  SlogP: 3.6752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0337187  Sterimol/B1: 2.13474  Sterimol/B2: 3.87098  Sterimol/B3: 4.55396
  Sterimol/B4: 7.5608  Sterimol/L: 24.3269 
 
 Surface and Volume Properties
  Accessible surface: 771.367  Positive charged surface: 495.794  Negative charged surface: 275.573  Volume: 430.625
  Hydrophobic surface: 615.211  Hydrophilic surface: 156.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.