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PUBCHEM-ZINC01976444

 MMsINC code: MMs02836389
Type: Neutral
Formula: C26H24N4O5S
SMILES:   S(C1=C(Nc2ccccc2O)C(=O)N(C1=O)c1ccccc1C(OCCC)=O)c1nc(cc(n1)C
)C
InChI:   InChI=1/C26H24N4O5S/c1-4-13-35-25(34)17-9-5-7-11-19(17)30-23(32)21(29-18-10-6-8-12-20(18)31)22(24(30)33)36-26-27-15(2)14-16(3)28-26/h5-12,14,29,31H,4,13H2,1-3H3

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Potential Energy
Epot(MMFF94)=125.108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 504.567 g/mol  logS: -7.74073  SlogP: 4.35504  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.263266  Sterimol/B1: 2.66445  Sterimol/B2: 6.04373  Sterimol/B3: 7.563
  Sterimol/B4: 8.90485  Sterimol/L: 18.1856 
 
 Surface and Volume Properties
  Accessible surface: 803.687  Positive charged surface: 472.902  Negative charged surface: 330.785  Volume: 459.75
  Hydrophobic surface: 601.137  Hydrophilic surface: 202.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.