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ASINEX-ZINC00972279

MMsINC code: MMs00226811

Type: Neutral
Formula: C19H24N2O4S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccc(cc1C)C)c1cc(ccc1OC)C)C
InChI:   InChI=1/C19H24N2O4S/c1-13-6-8-16(15(3)10-13)20-19(22)12-21(26(5,23)24)17-11-14(2)7-9-18(17)25-4/h6-11H,12H2,1-5H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=116.979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.477 g/mol  logS: -4.45356  SlogP: 3.02516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152686  Sterimol/B1: 2.99652  Sterimol/B2: 3.89924  Sterimol/B3: 6.15948
  Sterimol/B4: 6.54358  Sterimol/L: 16.7222 
 
 Surface and Volume Properties
  Accessible surface: 623.903  Positive charged surface: 386.57  Negative charged surface: 237.333  Volume: 355.375
  Hydrophobic surface: 541.047  Hydrophilic surface: 82.856
 
 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.