Drug ID:   | NPD8223 |
Drug Name:   | Propanol |
Molecular Formula:   | C3H8O |
Canonical SMILES:   | CCCO |
Standard InCHI:   | InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 |
Standard InCHIKey:   | BDERNNFJNOPAEC-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 | 1.0 | NPC311000 |
High Similarity | 0.8947 | NPC294703 |
High Similarity | 0.85 | NPC110344 |
High Similarity | 0.85 | NPC88839 |
High Similarity | 0.85 | NPC299484 |
Intermediate Similarity | 0.8421 | NPC163707 |
Intermediate Similarity | 0.8421 | NPC236761 |
Intermediate Similarity | 0.8235 | NPC2724 |
Intermediate Similarity | 0.8095 | NPC52403 |
Intermediate Similarity | 0.8095 | NPC39977 |
Intermediate Similarity | 0.7727 | NPC256186 |
Intermediate Similarity | 0.7727 | NPC87529 |
Intermediate Similarity | 0.7727 | NPC114270 |
Intermediate Similarity | 0.7727 | NPC23071 |
Intermediate Similarity | 0.7727 | NPC94144 |
Intermediate Similarity | 0.7727 | NPC245688 |
Intermediate Similarity | 0.7619 | NPC219266 |
Intermediate Similarity | 0.7391 | NPC232554 |
Intermediate Similarity | 0.7391 | NPC190797 |
Intermediate Similarity | 0.7391 | NPC140389 |
Intermediate Similarity | 0.7391 | NPC88887 |
Intermediate Similarity | 0.7391 | NPC275462 |
Intermediate Similarity | 0.7083 | NPC560 |
Intermediate Similarity | 0.7 | NPC34153 |
Remote Similarity | 0.6957 | NPC157340 |
Remote Similarity | 0.6957 | NPC199270 |
Remote Similarity | 0.68 | NPC276332 |
Remote Similarity | 0.68 | NPC39869 |
Remote Similarity | 0.6667 | NPC213764 |
Remote Similarity | 0.6667 | NPC304786 |
Remote Similarity | 0.6538 | NPC159845 |
Remote Similarity | 0.6538 | NPC52362 |
Remote Similarity | 0.6538 | NPC279895 |
Remote Similarity | 0.6538 | NPC261397 |
Remote Similarity | 0.65 | NPC149567 |
Remote Similarity | 0.64 | NPC128335 |
Remote Similarity | 0.64 | NPC252154 |
Remote Similarity | 0.6364 | NPC106054 |
Remote Similarity | 0.6296 | NPC270334 |
Remote Similarity | 0.6296 | NPC110884 |
Remote Similarity | 0.625 | NPC237965 |
Remote Similarity | 0.625 | NPC317406 |
Remote Similarity | 0.625 | NPC318912 |
Remote Similarity | 0.619 | NPC152773 |
Remote Similarity | 0.6154 | NPC324353 |
Remote Similarity | 0.6154 | NPC320326 |
Remote Similarity | 0.6154 | NPC272307 |
Remote Similarity | 0.6071 | NPC225783 |
Remote Similarity | 0.6071 | NPC24506 |
Remote Similarity | 0.6071 | NPC28077 |
Remote Similarity | 0.6071 | NPC163556 |
Remote Similarity | 0.6071 | NPC185041 |
Remote Similarity | 0.6071 | NPC236797 |
Remote Similarity | 0.6071 | NPC112242 |
Remote Similarity | 0.6071 | NPC147096 |
Remote Similarity | 0.6 | NPC272690 |
Remote Similarity | 0.6 | NPC82694 |
Remote Similarity | 0.5926 | NPC33415 |
Remote Similarity | 0.5926 | NPC301586 |
Remote Similarity | 0.5926 | NPC325345 |
Remote Similarity | 0.5926 | NPC238135 |
Remote Similarity | 0.5926 | NPC223195 |
Remote Similarity | 0.5862 | NPC84444 |
Remote Similarity | 0.5862 | NPC145217 |
Remote Similarity | 0.5862 | NPC126915 |
Remote Similarity | 0.5862 | NPC122962 |
Remote Similarity | 0.5769 | NPC317724 |
Remote Similarity | 0.5714 | NPC327718 |
Remote Similarity | 0.5667 | NPC139131 |
Remote Similarity | 0.5667 | NPC319034 |
Remote Similarity | 0.5667 | NPC63121 |
Remote Similarity | 0.5667 | NPC272998 |
Remote Similarity | 0.5667 | NPC193062 |
Remote Similarity | 0.5667 | NPC66124 |
Remote Similarity | 0.5667 | NPC205141 |
Remote Similarity | 0.5667 | NPC181516 |
Remote Similarity | 0.5667 | NPC197356 |
Remote Similarity | 0.5667 | NPC1748 |
Remote Similarity | 0.5667 | NPC291158 |
Remote Similarity | 0.5667 | NPC72324 |
Remote Similarity | 0.5667 | NPC185538 |
Remote Similarity | 0.5652 | NPC61373 |
Remote Similarity | 0.5652 | NPC85721 |
Remote Similarity | 0.56 | NPC306009 |
TTD   | |
DrugBank   | DB03175 |
ChEMBL   | CHEMBL14687 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | 28831 |
CAS Number   | 71-23-8 |
Molecular Weight   | 60.06 |
ALogP   | -0.6854 |
MLogP   | 1.68 |
XLogP   | 0.282 |
HDA   | 1 |
HBD   | 1 |
Rotatable Bonds   | 3 |
TPSA   | 20.23 |
RO5 Violation   | 0 |