Drug ID:   | NPD8545 |
Drug Name:   | Fosfocreatine |
Molecular Formula:   | C4H10N3O5P |
Canonical SMILES:   | OC(=O)CN(C(=N)NP(=O)(O)O)C |
Standard InCHI:   | InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) |
Standard InCHIKey:   | DRBBFCLWYRJSJZ-UHFFFAOYSA-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 |
---|---|---|
High Similarity | 0.8571 | NPC195448 |
Intermediate Similarity | 0.7451 | NPC40511 |
Remote Similarity | 0.6 | NPC27836 |
Remote Similarity | 0.5962 | NPC216443 |
Remote Similarity | 0.5918 | NPC59650 |
Remote Similarity | 0.5909 | NPC322206 |
Remote Similarity | 0.5902 | NPC245768 |
Remote Similarity | 0.5882 | NPC134570 |
Remote Similarity | 0.5714 | NPC10915 |
Remote Similarity | 0.566 | NPC69179 |
Remote Similarity | 0.5614 | NPC198301 |
Molecular Weight   | 211.04 |
ALogP   | -1.2373 |
MLogP   | 0.91 |
XLogP   | -1.523 |
HDA   | 8 |
HBD   | 5 |
Rotatable Bonds   | 9 |
TPSA   | 143.76 |
RO5 Violation   | 0 |