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ASINEX-ZINC01146287

 MMsINC code: MMs00229454
Type: Neutral
Formula: C19H20N2O4S2
SMILES:   S1\C(=C/c2cc3OCOc3cc2)\C(=O)N(CCCC(=O)N2CCCC2)C1=S
InChI:   InChI=1/C19H20N2O4S2/c22-17(20-7-1-2-8-20)4-3-9-21-18(23)16(27-19(21)26)11-13-5-6-14-15(10-13)25-12-24-14/h5-6,10-11H,1-4,7-9,12H2/b16-11-

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Potential Energy
Epot(MMFF94)=80.4823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.511 g/mol  logS: -4.8957  SlogP: 3.0191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0288427  Sterimol/B1: 2.48949  Sterimol/B2: 3.31511  Sterimol/B3: 4.00297
  Sterimol/B4: 7.61753  Sterimol/L: 20.835 
 
 Surface and Volume Properties
  Accessible surface: 662.208  Positive charged surface: 408.468  Negative charged surface: 253.74  Volume: 358.75
  Hydrophobic surface: 443.797  Hydrophilic surface: 218.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
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Ions/Tautomers related molecules: no related molecules available.