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ENAMINE-ZINC03357651

MMsINC code: MMs01393820

Type: Neutral
Formula: C18H20N2O4S2
SMILES:   S(=O)(=O)(N1CCCC1)c1ccc(S(=O)(=O)N2CCc3c2cccc3)cc1
InChI:   InChI=1/C18H20N2O4S2/c21-25(22,19-12-3-4-13-19)16-7-9-17(10-8-16)26(23,24)20-14-11-15-5-1-2-6-18(15)20/h1-2,5-10H,3-4,11-14H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=56.9419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.5 g/mol  logS: -3.77211  SlogP: 2.22247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0695937  Sterimol/B1: 2.89252  Sterimol/B2: 3.89616  Sterimol/B3: 4.93949
  Sterimol/B4: 6.43255  Sterimol/L: 16.8251 
 
 Surface and Volume Properties
  Accessible surface: 609.144  Positive charged surface: 356.753  Negative charged surface: 252.391  Volume: 341.125
  Hydrophobic surface: 497.663  Hydrophilic surface: 111.481
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.