Drug ID:   | NPD8225 |
Drug Name:   | Propylene Glycol |
Molecular Formula:   | C3H8O2 |
Canonical SMILES:   | OCC(O)C |
Standard InCHI:   | InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 |
Standard InCHIKey:   | DNIAPMSPPWPWGF-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 3 |
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 | NPC114270 |
High Similarity | 0.9565 | NPC140389 |
High Similarity | 0.913 | NPC157340 |
Intermediate Similarity | 0.8261 | NPC299484 |
Intermediate Similarity | 0.8182 | NPC163707 |
Intermediate Similarity | 0.8077 | NPC272307 |
Intermediate Similarity | 0.8077 | NPC320326 |
Intermediate Similarity | 0.8 | NPC88887 |
Intermediate Similarity | 0.7917 | NPC39977 |
Intermediate Similarity | 0.7778 | NPC301586 |
Intermediate Similarity | 0.7778 | NPC33415 |
Intermediate Similarity | 0.7727 | NPC311000 |
Intermediate Similarity | 0.76 | NPC245688 |
Intermediate Similarity | 0.7391 | NPC236761 |
Intermediate Similarity | 0.7308 | NPC190797 |
Intermediate Similarity | 0.7308 | NPC304786 |
Intermediate Similarity | 0.7308 | NPC232554 |
Intermediate Similarity | 0.7273 | NPC149567 |
Intermediate Similarity | 0.7083 | NPC294703 |
Intermediate Similarity | 0.7037 | NPC560 |
Intermediate Similarity | 0.7037 | NPC128335 |
Intermediate Similarity | 0.7 | NPC76217 |
Intermediate Similarity | 0.7 | NPC266566 |
Intermediate Similarity | 0.7 | NPC31433 |
Intermediate Similarity | 0.7 | NPC317060 |
Intermediate Similarity | 0.7 | NPC187058 |
Intermediate Similarity | 0.7 | NPC149070 |
Intermediate Similarity | 0.7 | NPC197207 |
Intermediate Similarity | 0.7 | NPC307739 |
Intermediate Similarity | 0.7 | NPC321170 |
Intermediate Similarity | 0.7 | NPC182541 |
Intermediate Similarity | 0.7 | NPC127074 |
Remote Similarity | 0.6923 | NPC87529 |
Remote Similarity | 0.6923 | NPC237965 |
Remote Similarity | 0.6923 | NPC94144 |
Remote Similarity | 0.6923 | NPC318912 |
Remote Similarity | 0.6897 | NPC270334 |
Remote Similarity | 0.68 | NPC88839 |
Remote Similarity | 0.68 | NPC110344 |
Remote Similarity | 0.68 | NPC219266 |
Remote Similarity | 0.6667 | NPC313405 |
Remote Similarity | 0.6667 | NPC5505 |
Remote Similarity | 0.6562 | NPC227267 |
Remote Similarity | 0.6552 | NPC238135 |
Remote Similarity | 0.6552 | NPC52362 |
Remote Similarity | 0.6552 | NPC159845 |
Remote Similarity | 0.6538 | NPC52403 |
Remote Similarity | 0.6452 | NPC261351 |
Remote Similarity | 0.6429 | NPC317724 |
Remote Similarity | 0.6429 | NPC252154 |
Remote Similarity | 0.6364 | NPC325165 |
Remote Similarity | 0.6364 | NPC66052 |
Remote Similarity | 0.6364 | NPC325034 |
Remote Similarity | 0.6364 | NPC2724 |
Remote Similarity | 0.6364 | NPC192065 |
Remote Similarity | 0.6364 | NPC86412 |
Remote Similarity | 0.6364 | NPC293908 |
Remote Similarity | 0.6333 | NPC110884 |
Remote Similarity | 0.6296 | NPC23071 |
Remote Similarity | 0.6296 | NPC199270 |
Remote Similarity | 0.6296 | NPC256186 |
Remote Similarity | 0.6176 | NPC103612 |
Remote Similarity | 0.6176 | NPC24967 |
Remote Similarity | 0.6111 | NPC222792 |
Remote Similarity | 0.6111 | NPC316217 |
Remote Similarity | 0.6071 | NPC272690 |
Remote Similarity | 0.6071 | NPC275462 |
Remote Similarity | 0.6071 | NPC82694 |
Remote Similarity | 0.6071 | NPC213764 |
Remote Similarity | 0.6 | NPC325345 |
Remote Similarity | 0.5946 | NPC320331 |
Remote Similarity | 0.5938 | NPC122962 |
Remote Similarity | 0.5882 | NPC191084 |
Remote Similarity | 0.5882 | NPC250870 |
Remote Similarity | 0.5882 | NPC168052 |
Remote Similarity | 0.5862 | NPC230452 |
Remote Similarity | 0.5862 | NPC329496 |
Remote Similarity | 0.5769 | NPC106054 |
Remote Similarity | 0.5758 | NPC1748 |
Remote Similarity | 0.5758 | NPC319034 |
Remote Similarity | 0.5758 | NPC193062 |
Remote Similarity | 0.5758 | NPC66124 |
Remote Similarity | 0.5758 | NPC72324 |
Remote Similarity | 0.5714 | NPC159089 |
Remote Similarity | 0.5714 | NPC474914 |
Remote Similarity | 0.5714 | NPC474392 |
Remote Similarity | 0.5667 | NPC39869 |
Remote Similarity | 0.5667 | NPC276332 |
Remote Similarity | 0.5625 | NPC141902 |
Remote Similarity | 0.56 | NPC34153 |
Remote Similarity | 0.56 | NPC152773 |
TTD   | |
DrugBank   | DB01839 |
ChEMBL   | CHEMBL286398 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | D00078 |
PubChem CID   | |
ChEBI   | 16997 |
CAS Number   | 57-55-6 |
Molecular Weight   | 76.05 |
ALogP   | -0.9081 |
MLogP   | 1.57 |
XLogP   | -0.748 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 4 |
TPSA   | 40.46 |
RO5 Violation   | 0 |