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ASINEX-ZINC00923748

 MMsINC code: MMs00222462
Type: Neutral
Formula: C23H28N2O6S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccc(OC)cc1)C1CCCCC1)c1ccc(cc1)C(OC)=O
InChI:   InChI=1/C23H28N2O6S/c1-30-20-12-10-18(11-13-20)24-22(26)16-25(19-6-4-3-5-7-19)32(28,29)21-14-8-17(9-15-21)23(27)31-2/h8-15,19H,3-7,16H2,1-2H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.551 g/mol  logS: -5.19812  SlogP: 3.4439  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172923  Sterimol/B1: 2.4862  Sterimol/B2: 3.97952  Sterimol/B3: 5.88573
  Sterimol/B4: 10.7427  Sterimol/L: 16.2607 
 
 Surface and Volume Properties
  Accessible surface: 724.217  Positive charged surface: 503.064  Negative charged surface: 221.153  Volume: 425.125
  Hydrophobic surface: 592.84  Hydrophilic surface: 131.377
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.