Drug ID:   | NPD9428 |
Drug Name:   | Mebicar |
Molecular Formula:   | C8H14N4O2 |
Canonical SMILES:   | CN1C(=O)N(C2C1N(C)C(=O)N2C)C |
Standard InCHI:   | InChI=1S/C8H14N4O2/c1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2/h5-6H,1-4H3 |
Standard InCHIKey:   | XIUUSFJTJXFNGH-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 |
---|---|---|
Remote Similarity | 0.5926 | NPC474992 |
Molecular Weight   | 198.11 |
ALogP   | -0.5818 |
MLogP   | 1.68 |
XLogP   | -1.014 |
HDA   | 6 |
HBD   | 0 |
Rotatable Bonds   | 4 |
TPSA   | 47.1 |
RO5 Violation   | 0 |