Drug ID:   | NPD3571 |
Drug Name:   | Cefepime Hydrochloride |
Molecular Formula:   | C19H24N6O5S2.2ClH.H2O |
Canonical SMILES:   | CO/N=C(/c1csc(=N)[nH]1)C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]1(C)CCCC1)O.O.Cl.Cl |
Standard InCHI:   | InChI=1S/C19H24N6O5S2.2ClH.H2O/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;;;/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);2*1H;1H2/b23-12-;;;/t13-,17-;;;/m1.../s1 |
Standard InCHIKey:   | LRAJHPGSGBRUJN-OMIVUECESA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
Remote Similarity | 0.6612 | NPC144780 |
Remote Similarity | 0.6391 | NPC288109 |
Remote Similarity | 0.5852 | NPC59249 |
Remote Similarity | 0.5811 | NPC476158 |
Remote Similarity | 0.5748 | NPC117829 |
Molecular Weight   | 480.12 |
ALogP   | -3.1391 |
MLogP   | 2.12 |
XLogP   | 0.446 |
HDA   | 8 |
HBD   | 3 |
Rotatable Bonds   | 11 |
TPSA   | 201.1 |
RO5 Violation   | 0 |