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ASINEX-ZINC01366797

 MMsINC code: MMs00249206
Type: Neutral
Formula: C24H22N2O3S
SMILES:   s1cccc1C(=O)N(Cc1cc2cc(OC)ccc2nc1O)Cc1ccc(cc1)C
InChI:   InChI=1/C24H22N2O3S/c1-16-5-7-17(8-6-16)14-26(24(28)22-4-3-11-30-22)15-19-12-18-13-20(29-2)9-10-21(18)25-23(19)27/h3-13H,14-15H2,1-2H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=187.23 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.517 g/mol  logS: -5.82964  SlogP: 5.69432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0565989  Sterimol/B1: 2.96181  Sterimol/B2: 3.35113  Sterimol/B3: 4.78196
  Sterimol/B4: 8.10925  Sterimol/L: 19.7164 
 
 Surface and Volume Properties
  Accessible surface: 670.016  Positive charged surface: 390.15  Negative charged surface: 273.9  Volume: 390.25
  Hydrophobic surface: 564.002  Hydrophilic surface: 106.014
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.