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ASINEX-ZINC00923752

 MMsINC code: MMs00222463
Type: Neutral
Formula: C24H30N2O7S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccc(OC)cc1OC)C1CCCCC1)c1ccc(cc1)C(OC)=O
InChI:   InChI=1/C24H30N2O7S/c1-31-19-11-14-21(22(15-19)32-2)25-23(27)16-26(18-7-5-4-6-8-18)34(29,30)20-12-9-17(10-13-20)24(28)33-3/h9-15,18H,4-8,16H2,1-3H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.577 g/mol  logS: -5.2485  SlogP: 3.4525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.269701  Sterimol/B1: 2.14757  Sterimol/B2: 4.64493  Sterimol/B3: 8.37826
  Sterimol/B4: 9.34425  Sterimol/L: 15.4009 
 
 Surface and Volume Properties
  Accessible surface: 762.398  Positive charged surface: 560.482  Negative charged surface: 201.916  Volume: 448.5
  Hydrophobic surface: 628.02  Hydrophilic surface: 134.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.