Drug ID:   | NPD8791 |
Drug Name:   | |
Molecular Formula:   | C5H11N |
Canonical SMILES:   | NC1CCCC1 |
Standard InCHI:   | InChI=1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2 |
Standard InCHIKey:   | NISGSNTVMOOSJQ-UHFFFAOYSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
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 |
---|---|---|
Intermediate Similarity | 0.8148 | NPC8576 |
Intermediate Similarity | 0.8 | NPC306277 |
Intermediate Similarity | 0.7692 | NPC125872 |
Intermediate Similarity | 0.72 | NPC27869 |
Intermediate Similarity | 0.72 | NPC309330 |
Intermediate Similarity | 0.72 | NPC28081 |
Remote Similarity | 0.6667 | NPC318947 |
Remote Similarity | 0.6667 | NPC313882 |
Remote Similarity | 0.6429 | NPC83032 |
Remote Similarity | 0.6286 | NPC251559 |
Remote Similarity | 0.625 | NPC21157 |
Remote Similarity | 0.6154 | NPC309715 |
Remote Similarity | 0.6129 | NPC232311 |
Remote Similarity | 0.6061 | NPC320889 |
Remote Similarity | 0.5789 | NPC167301 |
Remote Similarity | 0.5625 | NPC270175 |
Remote Similarity | 0.5625 | NPC152949 |
Remote Similarity | 0.5625 | NPC193536 |
Molecular Weight   | 85.09 |
ALogP   | -1.9523 |
MLogP   | 1.9 |
XLogP   | 0.693 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 1 |
TPSA   | 26.02 |
RO5 Violation   | 0 |