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RASPD - A Rapid Scoring Methodology Based on Physico-Chemical Descriptors of Small Molecules
Select option
Million Molecules Database
Natural Product Database
NCI Database
Please specify the range of the following properties
Input Protein file
Another Query
Hydrogen bond donors and acceptors at the active site of the protein upto
from any atom of the drug
Complementry pairs matches
Molecular Properties
Wiener Index
to
Total No. of NH+OH
to
Total No. of N+O
to
LogP
to
Molar Refrectivity
to
Acid
to
Alcohol
to
Sulphate/phosphate
to
Amide
to
Aldehyde/Ketone
to
Ester
to
Ether
to
Amine
to
No.of Aromatic Atoms
to
Formal Charge
to
Length of the Molecule
to
Total No. of Atoms
to
Cut off Binding Energy(kcal/mol)
No.of Molecules
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