Drug ID:   | NPD1263 |
Drug Name:   | Cefdinir |
Molecular Formula:   | C14H13N5O5S2 |
Canonical SMILES:   | OC(=N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C=C)/C(=NO)/c1csc(=N)[nH]1 |
Standard InCHI:   | InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1 |
Standard InCHIKey:   | RTXOFQZKPXMALH-GHXIOONMSA-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 | 0.6695 | NPC144780 |
Remote Similarity | 0.609 | NPC288109 |
Remote Similarity | 0.5705 | NPC13470 |
Remote Similarity | 0.5672 | NPC59249 |
Remote Similarity | 0.5646 | NPC476158 |
Molecular Weight   | 395.04 |
ALogP   | 0.0645 |
MLogP   | 1.68 |
XLogP   | 1.421 |
HDA   | 8 |
HBD   | 5 |
Rotatable Bonds   | 8 |
TPSA   | 209.27 |
RO5 Violation   | 0 |