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ENAMINE-ZINC03598046

 MMsINC code: MMs01520370
Type: Neutral
Formula: C23H19N3O4S2
SMILES:   s1c2cc(OC)ccc2nc1NC(=O)c1cc(S(=O)(=O)N2CCc3c2cccc3)ccc1
InChI:   InChI=1/C23H19N3O4S2/c1-30-17-9-10-19-21(14-17)31-23(24-19)25-22(27)16-6-4-7-18(13-16)32(28,29)26-12-11-15-5-2-3-8-20(15)26/h2-10,13-14H,11-12H2,1H3,(H,24,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.3951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.554 g/mol  logS: -6.61339  SlogP: 4.30857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0356489  Sterimol/B1: 3.53824  Sterimol/B2: 3.7567  Sterimol/B3: 4.97595
  Sterimol/B4: 6.95014  Sterimol/L: 22.4136 
 
 Surface and Volume Properties
  Accessible surface: 715.655  Positive charged surface: 402.429  Negative charged surface: 313.226  Volume: 405.5
  Hydrophobic surface: 581.698  Hydrophilic surface: 133.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.