Drug ID:   | NPD8959 |
Drug Name:   | Gluconolactone |
Molecular Formula:   | C6H10O6 |
Canonical SMILES:   | OC[C@H]1OC(=O)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI:   | InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1 |
Standard InCHIKey:   | PHOQVHQSTUBQQK-SQOUGZDYSA-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 | NPC220922 |
High Similarity | 0.9273 | NPC293692 |
High Similarity | 0.9138 | NPC258690 |
High Similarity | 0.9138 | NPC317651 |
High Similarity | 0.9057 | NPC277878 |
High Similarity | 0.8889 | NPC196612 |
High Similarity | 0.8548 | NPC32148 |
Intermediate Similarity | 0.8 | NPC323945 |
Intermediate Similarity | 0.7963 | NPC172086 |
Intermediate Similarity | 0.7963 | NPC247546 |
Intermediate Similarity | 0.7869 | NPC320296 |
Intermediate Similarity | 0.7818 | NPC46254 |
Intermediate Similarity | 0.7407 | NPC242655 |
Intermediate Similarity | 0.7407 | NPC38891 |
Intermediate Similarity | 0.7344 | NPC268243 |
Intermediate Similarity | 0.7288 | NPC19676 |
Intermediate Similarity | 0.7288 | NPC323401 |
Intermediate Similarity | 0.7258 | NPC320032 |
Intermediate Similarity | 0.7213 | NPC198377 |
Intermediate Similarity | 0.717 | NPC35661 |
Intermediate Similarity | 0.7167 | NPC6883 |
Intermediate Similarity | 0.7097 | NPC61567 |
Intermediate Similarity | 0.7091 | NPC270088 |
Intermediate Similarity | 0.7077 | NPC325773 |
Intermediate Similarity | 0.7037 | NPC313565 |
Intermediate Similarity | 0.7037 | NPC228782 |
Intermediate Similarity | 0.7037 | NPC259982 |
Intermediate Similarity | 0.7 | NPC65985 |
Remote Similarity | 0.6984 | NPC322855 |
Remote Similarity | 0.6984 | NPC179624 |
Remote Similarity | 0.6981 | NPC266553 |
Remote Similarity | 0.6935 | NPC3547 |
Remote Similarity | 0.6912 | NPC53879 |
Remote Similarity | 0.6912 | NPC57788 |
Remote Similarity | 0.6909 | NPC70756 |
Remote Similarity | 0.6909 | NPC320240 |
Remote Similarity | 0.6875 | NPC17935 |
Remote Similarity | 0.6866 | NPC12040 |
Remote Similarity | 0.6866 | NPC76881 |
Remote Similarity | 0.6852 | NPC24751 |
Remote Similarity | 0.6852 | NPC121018 |
Remote Similarity | 0.6852 | NPC19044 |
Remote Similarity | 0.6852 | NPC100742 |
Remote Similarity | 0.6852 | NPC97444 |
Remote Similarity | 0.6852 | NPC192402 |
Remote Similarity | 0.6806 | NPC125164 |
Remote Similarity | 0.6774 | NPC68743 |
Remote Similarity | 0.6774 | NPC60830 |
Remote Similarity | 0.6757 | NPC474003 |
Remote Similarity | 0.6712 | NPC473948 |
Remote Similarity | 0.6667 | NPC206601 |
Remote Similarity | 0.6667 | NPC21209 |
Remote Similarity | 0.6667 | NPC285364 |
Remote Similarity | 0.6667 | NPC165846 |
Remote Similarity | 0.6667 | NPC92246 |
Remote Similarity | 0.6667 | NPC199857 |
Remote Similarity | 0.6667 | NPC176017 |
Remote Similarity | 0.6667 | NPC289758 |
Remote Similarity | 0.6667 | NPC69445 |
Remote Similarity | 0.6667 | NPC73906 |
Remote Similarity | 0.6667 | NPC255377 |
Remote Similarity | 0.6613 | NPC23155 |
Remote Similarity | 0.6613 | NPC469937 |
Remote Similarity | 0.6613 | NPC320588 |
Remote Similarity | 0.6613 | NPC53463 |
Remote Similarity | 0.661 | NPC293378 |
Remote Similarity | 0.6571 | NPC250619 |
Remote Similarity | 0.6571 | NPC50228 |
Remote Similarity | 0.6571 | NPC97736 |
Remote Similarity | 0.6552 | NPC277475 |
Remote Similarity | 0.6552 | NPC321087 |
Remote Similarity | 0.6528 | NPC96322 |
Remote Similarity | 0.6479 | NPC241265 |
Remote Similarity | 0.6479 | NPC211428 |
Remote Similarity | 0.6479 | NPC285003 |
Remote Similarity | 0.6441 | NPC14144 |
Remote Similarity | 0.6429 | NPC469925 |
Remote Similarity | 0.6379 | NPC133771 |
Remote Similarity | 0.6364 | NPC320331 |
Remote Similarity | 0.6333 | NPC299781 |
Remote Similarity | 0.6333 | NPC157193 |
Remote Similarity | 0.6333 | NPC328954 |
Remote Similarity | 0.6333 | NPC282143 |
Remote Similarity | 0.6333 | NPC42503 |
Remote Similarity | 0.6316 | NPC29721 |
Remote Similarity | 0.6301 | NPC185419 |
Remote Similarity | 0.6301 | NPC184550 |
Remote Similarity | 0.623 | NPC323574 |
Remote Similarity | 0.6216 | NPC169085 |
Remote Similarity | 0.6216 | NPC291228 |
Remote Similarity | 0.6216 | NPC308096 |
Remote Similarity | 0.6216 | NPC9763 |
Remote Similarity | 0.6216 | NPC225748 |
Remote Similarity | 0.6216 | NPC163812 |
Remote Similarity | 0.6216 | NPC206823 |
Remote Similarity | 0.6216 | NPC39266 |
Remote Similarity | 0.6203 | NPC297440 |
Remote Similarity | 0.6184 | NPC190400 |
Remote Similarity | 0.6184 | NPC49392 |
Remote Similarity | 0.6176 | NPC10659 |
Remote Similarity | 0.6167 | NPC131770 |
Remote Similarity | 0.6167 | NPC200618 |
Remote Similarity | 0.6164 | NPC321873 |
Remote Similarity | 0.614 | NPC317182 |
Remote Similarity | 0.614 | NPC291502 |
Remote Similarity | 0.614 | NPC213159 |
Remote Similarity | 0.614 | NPC298699 |
Remote Similarity | 0.614 | NPC86191 |
Remote Similarity | 0.614 | NPC134252 |
Remote Similarity | 0.6129 | NPC326533 |
Remote Similarity | 0.6129 | NPC233726 |
Remote Similarity | 0.6129 | NPC23134 |
Remote Similarity | 0.6129 | NPC124963 |
Remote Similarity | 0.6119 | NPC470363 |
Remote Similarity | 0.6104 | NPC83108 |
Remote Similarity | 0.6104 | NPC214030 |
Remote Similarity | 0.6098 | NPC51267 |
Remote Similarity | 0.6087 | NPC235788 |
Remote Similarity | 0.6053 | NPC228411 |
Remote Similarity | 0.6038 | NPC192065 |
Remote Similarity | 0.6038 | NPC317203 |
Remote Similarity | 0.6038 | NPC293908 |
Remote Similarity | 0.6038 | NPC86412 |
Remote Similarity | 0.6038 | NPC66052 |
Remote Similarity | 0.6038 | NPC325034 |
Remote Similarity | 0.6034 | NPC319680 |
Remote Similarity | 0.6027 | NPC28526 |
Remote Similarity | 0.6026 | NPC470014 |
Remote Similarity | 0.6 | NPC473699 |
Remote Similarity | 0.6 | NPC88638 |
Remote Similarity | 0.6 | NPC475232 |
Remote Similarity | 0.6 | NPC474100 |
Remote Similarity | 0.6 | NPC173328 |
Remote Similarity | 0.6 | NPC476087 |
Remote Similarity | 0.6 | NPC473775 |
Remote Similarity | 0.6 | NPC252918 |
Remote Similarity | 0.6 | NPC475270 |
Remote Similarity | 0.6 | NPC477347 |
Remote Similarity | 0.6 | NPC230789 |
Remote Similarity | 0.6 | NPC326957 |
Remote Similarity | 0.6 | NPC475327 |
Remote Similarity | 0.6 | NPC51249 |
Remote Similarity | 0.6 | NPC475667 |
Remote Similarity | 0.6 | NPC269318 |
Remote Similarity | 0.6 | NPC186992 |
Remote Similarity | 0.6 | NPC475260 |
Remote Similarity | 0.6 | NPC297768 |
Remote Similarity | 0.6 | NPC238056 |
Remote Similarity | 0.5976 | NPC115995 |
Remote Similarity | 0.5974 | NPC477350 |
Remote Similarity | 0.5972 | NPC286842 |
Remote Similarity | 0.5968 | NPC90904 |
Remote Similarity | 0.5952 | NPC314364 |
Remote Similarity | 0.5938 | NPC246558 |
Remote Similarity | 0.5938 | NPC89145 |
Remote Similarity | 0.5938 | NPC314821 |
Remote Similarity | 0.5938 | NPC130683 |
Remote Similarity | 0.5938 | NPC317501 |
Remote Similarity | 0.5938 | NPC145112 |
Remote Similarity | 0.5938 | NPC157514 |
Remote Similarity | 0.5938 | NPC242073 |
Remote Similarity | 0.5938 | NPC269166 |
Remote Similarity | 0.5938 | NPC67660 |
Remote Similarity | 0.5938 | NPC323361 |
Remote Similarity | 0.5938 | NPC107914 |
Remote Similarity | 0.5938 | NPC317626 |
Remote Similarity | 0.5938 | NPC58629 |
Remote Similarity | 0.5938 | NPC165198 |
Remote Similarity | 0.5932 | NPC207656 |
Remote Similarity | 0.5932 | NPC107091 |
Remote Similarity | 0.593 | NPC65359 |
Remote Similarity | 0.593 | NPC274075 |
Remote Similarity | 0.5926 | NPC5505 |
Remote Similarity | 0.5926 | NPC103612 |
Remote Similarity | 0.5926 | NPC24967 |
Remote Similarity | 0.5926 | NPC159089 |
Remote Similarity | 0.5915 | NPC471760 |
Remote Similarity | 0.5915 | NPC471761 |
Remote Similarity | 0.5915 | NPC190418 |
Remote Similarity | 0.5915 | NPC469926 |
Remote Similarity | 0.5897 | NPC110813 |
Remote Similarity | 0.5897 | NPC476782 |
Remote Similarity | 0.5897 | NPC216883 |
Remote Similarity | 0.5897 | NPC476783 |
Remote Similarity | 0.5897 | NPC476781 |
Remote Similarity | 0.5893 | NPC94368 |
Remote Similarity | 0.589 | NPC82315 |
Remote Similarity | 0.5882 | NPC475821 |
Remote Similarity | 0.5873 | NPC287811 |
Remote Similarity | 0.5873 | NPC100096 |
Remote Similarity | 0.5862 | NPC469627 |
Remote Similarity | 0.5854 | NPC60849 |
Remote Similarity | 0.5854 | NPC472352 |
Remote Similarity | 0.5854 | NPC477332 |
Remote Similarity | 0.5846 | NPC303727 |
Remote Similarity | 0.5846 | NPC289979 |
Remote Similarity | 0.5843 | NPC322188 |
Remote Similarity | 0.5833 | NPC241949 |
Remote Similarity | 0.5824 | NPC253995 |
Remote Similarity | 0.5823 | NPC477329 |
TTD   | |
DrugBank   | DB04564 |
ChEMBL   | CHEMBL1200829 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | D04332 |
PubChem CID   | |
ChEBI   | 16217 |
CAS Number   | 90-80-2 |
Molecular Weight   | 178.05 |
ALogP   | -2.229 |
MLogP   | 1.46 |
XLogP   | -1.203 |
HDA   | 6 |
HBD   | 4 |
Rotatable Bonds   | 5 |
TPSA   | 107.22 |
RO5 Violation   | 0 |