Drug ID:   | NPD8814 |
Drug Name:   | Xylitol |
Molecular Formula:   | C5H12O5 |
Canonical SMILES:   | OC[C@H]([C@@H]([C@H](CO)O)O)O |
Standard InCHI:   | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+ |
Standard InCHIKey:   | HEBKCHPVOIAQTA-SCDXWVJYSA-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 | NPC127074 |
High Similarity | 1.0 | NPC197207 |
High Similarity | 1.0 | NPC187058 |
High Similarity | 1.0 | NPC149070 |
High Similarity | 1.0 | NPC182541 |
High Similarity | 0.9062 | NPC192065 |
High Similarity | 0.9062 | NPC86412 |
High Similarity | 0.9062 | NPC66052 |
High Similarity | 0.9062 | NPC293908 |
High Similarity | 0.9062 | NPC325034 |
High Similarity | 0.8966 | NPC33415 |
High Similarity | 0.8966 | NPC301586 |
High Similarity | 0.8621 | NPC320326 |
Intermediate Similarity | 0.7838 | NPC227707 |
Intermediate Similarity | 0.7838 | NPC266553 |
Intermediate Similarity | 0.7838 | NPC111882 |
Intermediate Similarity | 0.7838 | NPC88278 |
Intermediate Similarity | 0.7838 | NPC102981 |
Intermediate Similarity | 0.7838 | NPC99573 |
Intermediate Similarity | 0.7647 | NPC227267 |
Intermediate Similarity | 0.7586 | NPC199270 |
Intermediate Similarity | 0.7586 | NPC157340 |
Intermediate Similarity | 0.7436 | NPC298699 |
Intermediate Similarity | 0.7436 | NPC228782 |
Intermediate Similarity | 0.7436 | NPC313565 |
Intermediate Similarity | 0.7436 | NPC213159 |
Intermediate Similarity | 0.7436 | NPC86191 |
Intermediate Similarity | 0.7436 | NPC320189 |
Intermediate Similarity | 0.7436 | NPC134252 |
Intermediate Similarity | 0.7436 | NPC291502 |
Intermediate Similarity | 0.7436 | NPC259982 |
Intermediate Similarity | 0.7436 | NPC317182 |
Intermediate Similarity | 0.7333 | NPC140389 |
Intermediate Similarity | 0.7333 | NPC88887 |
Intermediate Similarity | 0.725 | NPC70756 |
Intermediate Similarity | 0.725 | NPC29721 |
Intermediate Similarity | 0.725 | NPC320240 |
Intermediate Similarity | 0.7097 | NPC252154 |
Intermediate Similarity | 0.7097 | NPC560 |
Intermediate Similarity | 0.7073 | NPC207656 |
Intermediate Similarity | 0.7073 | NPC107091 |
Intermediate Similarity | 0.7 | NPC114270 |
Intermediate Similarity | 0.7 | NPC245688 |
Remote Similarity | 0.6905 | NPC255377 |
Remote Similarity | 0.6905 | NPC176017 |
Remote Similarity | 0.6905 | NPC73906 |
Remote Similarity | 0.6905 | NPC165846 |
Remote Similarity | 0.6905 | NPC289758 |
Remote Similarity | 0.6905 | NPC285364 |
Remote Similarity | 0.6905 | NPC199857 |
Remote Similarity | 0.6905 | NPC21209 |
Remote Similarity | 0.6905 | NPC69445 |
Remote Similarity | 0.6905 | NPC92246 |
Remote Similarity | 0.6897 | NPC219266 |
Remote Similarity | 0.6774 | NPC232554 |
Remote Similarity | 0.6774 | NPC213764 |
Remote Similarity | 0.6744 | NPC252918 |
Remote Similarity | 0.6744 | NPC88638 |
Remote Similarity | 0.6744 | NPC314613 |
Remote Similarity | 0.6744 | NPC321087 |
Remote Similarity | 0.6744 | NPC230789 |
Remote Similarity | 0.6744 | NPC277475 |
Remote Similarity | 0.6667 | NPC52403 |
Remote Similarity | 0.6667 | NPC270088 |
Remote Similarity | 0.6667 | NPC38891 |
Remote Similarity | 0.6667 | NPC242655 |
Remote Similarity | 0.6667 | NPC325345 |
Remote Similarity | 0.6667 | NPC39977 |
Remote Similarity | 0.6667 | NPC159845 |
Remote Similarity | 0.6591 | NPC172086 |
Remote Similarity | 0.6591 | NPC112363 |
Remote Similarity | 0.6591 | NPC247546 |
Remote Similarity | 0.6591 | NPC14144 |
Remote Similarity | 0.6571 | NPC31433 |
Remote Similarity | 0.6571 | NPC266566 |
Remote Similarity | 0.6571 | NPC321170 |
Remote Similarity | 0.65 | NPC320331 |
Remote Similarity | 0.6471 | NPC110884 |
Remote Similarity | 0.6444 | NPC82512 |
Remote Similarity | 0.6444 | NPC42503 |
Remote Similarity | 0.6444 | NPC325822 |
Remote Similarity | 0.6444 | NPC61270 |
Remote Similarity | 0.6444 | NPC299781 |
Remote Similarity | 0.6444 | NPC157193 |
Remote Similarity | 0.6444 | NPC282143 |
Remote Similarity | 0.6364 | NPC272307 |
Remote Similarity | 0.6341 | NPC35661 |
Remote Similarity | 0.6333 | NPC299484 |
Remote Similarity | 0.6304 | NPC322158 |
Remote Similarity | 0.6304 | NPC329128 |
Remote Similarity | 0.6304 | NPC323574 |
Remote Similarity | 0.6279 | NPC62014 |
Remote Similarity | 0.625 | NPC275462 |
Remote Similarity | 0.6207 | NPC236761 |
Remote Similarity | 0.617 | NPC233726 |
Remote Similarity | 0.617 | NPC326533 |
Remote Similarity | 0.617 | NPC23134 |
Remote Similarity | 0.617 | NPC329095 |
Remote Similarity | 0.617 | NPC124963 |
Remote Similarity | 0.6111 | NPC122962 |
Remote Similarity | 0.6111 | NPC267243 |
Remote Similarity | 0.6111 | NPC317060 |
Remote Similarity | 0.6087 | NPC46254 |
Remote Similarity | 0.6061 | NPC128335 |
Remote Similarity | 0.6042 | NPC277878 |
Remote Similarity | 0.6042 | NPC320043 |
Remote Similarity | 0.6042 | NPC321102 |
Remote Similarity | 0.6042 | NPC322803 |
Remote Similarity | 0.6042 | NPC278465 |
Remote Similarity | 0.6042 | NPC103672 |
Remote Similarity | 0.6042 | NPC325153 |
Remote Similarity | 0.6 | NPC294703 |
Remote Similarity | 0.5952 | NPC100742 |
Remote Similarity | 0.5952 | NPC121018 |
Remote Similarity | 0.5952 | NPC192402 |
Remote Similarity | 0.5952 | NPC19044 |
Remote Similarity | 0.5952 | NPC97444 |
Remote Similarity | 0.5952 | NPC24751 |
Remote Similarity | 0.5946 | NPC66124 |
Remote Similarity | 0.5946 | NPC193062 |
Remote Similarity | 0.5946 | NPC72324 |
Remote Similarity | 0.5946 | NPC319034 |
Remote Similarity | 0.5946 | NPC1748 |
Remote Similarity | 0.5938 | NPC87529 |
Remote Similarity | 0.5938 | NPC94144 |
Remote Similarity | 0.5918 | NPC145112 |
Remote Similarity | 0.5918 | NPC242073 |
Remote Similarity | 0.5918 | NPC323361 |
Remote Similarity | 0.5918 | NPC269166 |
Remote Similarity | 0.5918 | NPC130683 |
Remote Similarity | 0.5918 | NPC246558 |
Remote Similarity | 0.5918 | NPC157514 |
Remote Similarity | 0.5918 | NPC19676 |
Remote Similarity | 0.5918 | NPC314821 |
Remote Similarity | 0.5918 | NPC107914 |
Remote Similarity | 0.5918 | NPC89145 |
Remote Similarity | 0.5918 | NPC67660 |
Remote Similarity | 0.5918 | NPC317501 |
Remote Similarity | 0.5918 | NPC317626 |
Remote Similarity | 0.5918 | NPC323401 |
Remote Similarity | 0.5918 | NPC165198 |
Remote Similarity | 0.5918 | NPC196612 |
Remote Similarity | 0.5918 | NPC58629 |
Remote Similarity | 0.5897 | NPC474914 |
Remote Similarity | 0.5897 | NPC313405 |
Remote Similarity | 0.5897 | NPC474392 |
Remote Similarity | 0.5897 | NPC5505 |
Remote Similarity | 0.5882 | NPC39869 |
Remote Similarity | 0.5882 | NPC276332 |
Remote Similarity | 0.5833 | NPC200772 |
Remote Similarity | 0.58 | NPC6883 |
Remote Similarity | 0.58 | NPC303727 |
Remote Similarity | 0.58 | NPC327257 |
Remote Similarity | 0.5758 | NPC304786 |
Remote Similarity | 0.5758 | NPC190797 |
Remote Similarity | 0.5714 | NPC300235 |
Remote Similarity | 0.5714 | NPC244869 |
Remote Similarity | 0.5714 | NPC52362 |
Remote Similarity | 0.5714 | NPC476149 |
Remote Similarity | 0.5714 | NPC238135 |
Remote Similarity | 0.5714 | NPC476136 |
Remote Similarity | 0.5714 | NPC279895 |
Remote Similarity | 0.5682 | NPC319680 |
Remote Similarity | 0.5667 | NPC163707 |
Remote Similarity | 0.5652 | NPC8597 |
Remote Similarity | 0.5641 | NPC168052 |
Remote Similarity | 0.5641 | NPC97967 |
Remote Similarity | 0.5641 | NPC191084 |
Remote Similarity | 0.5641 | NPC250870 |
TTD   | |
DrugBank   | DB01904 |
ChEMBL   | CHEMBL96783 |
IUPHAR/BPS   | |
PharmaGKB   | PA451938 |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | 17151 |
CAS Number   | 488-81-3 |
Molecular Weight   | 152.07 |
ALogP   | -2.4295 |
MLogP   | 1.46 |
XLogP   | -3.224 |
HDA   | 5 |
HBD   | 5 |
Rotatable Bonds   | 9 |
TPSA   | 101.15 |
RO5 Violation   | 0 |