Drug ID:   | NPD2858 |
Drug Name:   | Ceftriaxone |
Molecular Formula:   | C18H18N8O7S3 |
Canonical SMILES:   | CO/N=C(/c1csc(=N)[nH]1)C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nc(=O)c(=O)[nH]n1C)O |
Standard InCHI:   | InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1 |
Standard InCHIKey:   | VAAUVRVFOQPIGI-SPQHTLEESA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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.
Molecular Weight   | 554.05 |
ALogP   | -1.2367 |
MLogP   | 1.46 |
XLogP   | 0.606 |
HDA   | 13 |
HBD   | 5 |
Rotatable Bonds   | 12 |
TPSA   | 285.34 |
RO5 Violation   | 1 |