Drug Information

Drug ID:  NPD6649
Drug Name:  Methylprednisolone Sodium Succinate
Molecular Formula:  C26H34O8.Na
Canonical SMILES:  [O-]C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)C.[Na+]
Standard InCHI:  InChI=1S/C26H34O8.Na/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24;/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31);/q;+1/p-1/t14-,16-,17-,19-,23+,24-,25-,26-;/m0./s1
Standard InCHIKey:  FQISKWAFAHGMGT-SGJOWKDISA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6649

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Drug Structure

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External Identifiers

TTD  
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ChEMBL  
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CAS Number  

Drug Properties

Molecular Weight  473.22
ALogP  -1.4587
MLogP  3.44
XLogP  0.725
HDA  8
HBD  2
Rotatable Bonds  13
TPSA  141.03
RO5 Violation  0