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ENAMINE-ZINC03304479

 MMsINC code: MMs01360316
Type: Neutral
Formula: C24H24N2O3S
SMILES:   S(=O)(=O)(N1CCCC1)c1cc(ccc1)C(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O3S/c27-24(21-14-9-15-22(18-21)30(28,29)26-16-7-8-17-26)25-23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,9-15,18,23H,7-8,16-17H2,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.5367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.533 g/mol  logS: -5.53275  SlogP: 4.086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124487  Sterimol/B1: 2.32197  Sterimol/B2: 4.29815  Sterimol/B3: 5.05764
  Sterimol/B4: 9.36784  Sterimol/L: 16.3479 
 
 Surface and Volume Properties
  Accessible surface: 706.544  Positive charged surface: 395.74  Negative charged surface: 310.805  Volume: 401.875
  Hydrophobic surface: 615.869  Hydrophilic surface: 90.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.