Drug ID:   | NPD8961 |
Drug Name:   | Sodium Gluconate |
Molecular Formula:   | C6H10O7.Na |
Canonical SMILES:   | O[C@H]1O[C@H](C(=O)[O-])[C@H]([C@@H]([C@H]1O)O)O.[Na+] |
Standard InCHI:   | InChI=1S/C6H10O7.Na/c7-1-2(8)4(5(10)11)13-6(12)3(1)9;/h1-4,6-9,12H,(H,10,11);/q;+1/p-1/t1-,2-,3+,4-,6-;/m0./s1 |
Standard InCHIKey:   | MSXHSNHNTORCAW-GGLLEASOSA-M |
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 | NPC317651 |
High Similarity | 1.0 | NPC258690 |
High Similarity | 0.9138 | NPC220922 |
High Similarity | 0.9048 | NPC32148 |
High Similarity | 0.85 | NPC293692 |
Intermediate Similarity | 0.8276 | NPC277878 |
Intermediate Similarity | 0.8136 | NPC196612 |
Intermediate Similarity | 0.7846 | NPC268243 |
Intermediate Similarity | 0.7778 | NPC320032 |
Intermediate Similarity | 0.7576 | NPC325773 |
Intermediate Similarity | 0.75 | NPC322855 |
Intermediate Similarity | 0.7385 | NPC323945 |
Intermediate Similarity | 0.7353 | NPC76881 |
Intermediate Similarity | 0.7353 | NPC12040 |
Intermediate Similarity | 0.7288 | NPC247546 |
Intermediate Similarity | 0.7288 | NPC172086 |
Intermediate Similarity | 0.7273 | NPC320296 |
Intermediate Similarity | 0.7241 | NPC285364 |
Intermediate Similarity | 0.7241 | NPC73906 |
Intermediate Similarity | 0.7241 | NPC289758 |
Intermediate Similarity | 0.7241 | NPC69445 |
Intermediate Similarity | 0.7241 | NPC199857 |
Intermediate Similarity | 0.7241 | NPC92246 |
Intermediate Similarity | 0.7241 | NPC165846 |
Intermediate Similarity | 0.7241 | NPC21209 |
Intermediate Similarity | 0.7241 | NPC255377 |
Intermediate Similarity | 0.7241 | NPC176017 |
Intermediate Similarity | 0.7167 | NPC46254 |
Intermediate Similarity | 0.7143 | NPC206601 |
Intermediate Similarity | 0.7119 | NPC277475 |
Intermediate Similarity | 0.7119 | NPC321087 |
Intermediate Similarity | 0.7042 | NPC97736 |
Intermediate Similarity | 0.7042 | NPC250619 |
Intermediate Similarity | 0.7042 | NPC50228 |
Intermediate Similarity | 0.7 | NPC14144 |
Remote Similarity | 0.6944 | NPC241265 |
Remote Similarity | 0.6944 | NPC211428 |
Remote Similarity | 0.6944 | NPC285003 |
Remote Similarity | 0.6897 | NPC70756 |
Remote Similarity | 0.6897 | NPC320240 |
Remote Similarity | 0.6885 | NPC42503 |
Remote Similarity | 0.6885 | NPC282143 |
Remote Similarity | 0.6885 | NPC299781 |
Remote Similarity | 0.6885 | NPC157193 |
Remote Similarity | 0.6818 | NPC61567 |
Remote Similarity | 0.678 | NPC242655 |
Remote Similarity | 0.678 | NPC38891 |
Remote Similarity | 0.6774 | NPC323574 |
Remote Similarity | 0.6757 | NPC185419 |
Remote Similarity | 0.6757 | NPC184550 |
Remote Similarity | 0.6724 | NPC213159 |
Remote Similarity | 0.6724 | NPC86191 |
Remote Similarity | 0.6724 | NPC298699 |
Remote Similarity | 0.6724 | NPC134252 |
Remote Similarity | 0.6724 | NPC317182 |
Remote Similarity | 0.6724 | NPC291502 |
Remote Similarity | 0.6719 | NPC19676 |
Remote Similarity | 0.6719 | NPC323401 |
Remote Similarity | 0.6667 | NPC225748 |
Remote Similarity | 0.6667 | NPC124963 |
Remote Similarity | 0.6667 | NPC23134 |
Remote Similarity | 0.6667 | NPC326533 |
Remote Similarity | 0.6667 | NPC198377 |
Remote Similarity | 0.6667 | NPC206823 |
Remote Similarity | 0.6667 | NPC233726 |
Remote Similarity | 0.6667 | NPC163812 |
Remote Similarity | 0.6667 | NPC9763 |
Remote Similarity | 0.6667 | NPC308096 |
Remote Similarity | 0.6667 | NPC169085 |
Remote Similarity | 0.6667 | NPC291228 |
Remote Similarity | 0.6667 | NPC39266 |
Remote Similarity | 0.6618 | NPC17935 |
Remote Similarity | 0.6615 | NPC6883 |
Remote Similarity | 0.6552 | NPC35661 |
Remote Similarity | 0.65 | NPC270088 |
Remote Similarity | 0.6471 | NPC179624 |
Remote Similarity | 0.6462 | NPC269166 |
Remote Similarity | 0.6462 | NPC67660 |
Remote Similarity | 0.6462 | NPC65985 |
Remote Similarity | 0.6462 | NPC107914 |
Remote Similarity | 0.6462 | NPC246558 |
Remote Similarity | 0.6462 | NPC130683 |
Remote Similarity | 0.6462 | NPC89145 |
Remote Similarity | 0.6462 | NPC317626 |
Remote Similarity | 0.6462 | NPC165198 |
Remote Similarity | 0.6462 | NPC314821 |
Remote Similarity | 0.6462 | NPC242073 |
Remote Similarity | 0.6462 | NPC323361 |
Remote Similarity | 0.6462 | NPC317501 |
Remote Similarity | 0.6462 | NPC145112 |
Remote Similarity | 0.6462 | NPC58629 |
Remote Similarity | 0.6462 | NPC157514 |
Remote Similarity | 0.6441 | NPC228782 |
Remote Similarity | 0.6441 | NPC259982 |
Remote Similarity | 0.6441 | NPC313565 |
Remote Similarity | 0.6438 | NPC57788 |
Remote Similarity | 0.6438 | NPC53879 |
Remote Similarity | 0.642 | NPC476087 |
Remote Similarity | 0.642 | NPC475270 |
Remote Similarity | 0.642 | NPC477347 |
Remote Similarity | 0.642 | NPC173328 |
Remote Similarity | 0.642 | NPC238056 |
Remote Similarity | 0.642 | NPC297768 |
Remote Similarity | 0.642 | NPC475667 |
Remote Similarity | 0.642 | NPC475327 |
Remote Similarity | 0.642 | NPC186992 |
Remote Similarity | 0.642 | NPC269318 |
Remote Similarity | 0.6418 | NPC3547 |
Remote Similarity | 0.641 | NPC477350 |
Remote Similarity | 0.6389 | NPC471760 |
Remote Similarity | 0.6389 | NPC471761 |
Remote Similarity | 0.6389 | NPC190418 |
Remote Similarity | 0.6379 | NPC266553 |
Remote Similarity | 0.6364 | NPC125164 |
Remote Similarity | 0.6364 | NPC303727 |
Remote Similarity | 0.6333 | NPC29721 |
Remote Similarity | 0.6329 | NPC476781 |
Remote Similarity | 0.6329 | NPC476782 |
Remote Similarity | 0.6329 | NPC216883 |
Remote Similarity | 0.6329 | NPC110813 |
Remote Similarity | 0.6329 | NPC474003 |
Remote Similarity | 0.6329 | NPC476783 |
Remote Similarity | 0.6316 | NPC96322 |
Remote Similarity | 0.6304 | NPC324667 |
Remote Similarity | 0.6282 | NPC473948 |
Remote Similarity | 0.6271 | NPC19044 |
Remote Similarity | 0.6271 | NPC100742 |
Remote Similarity | 0.6271 | NPC192402 |
Remote Similarity | 0.6271 | NPC97444 |
Remote Similarity | 0.6271 | NPC24751 |
Remote Similarity | 0.6271 | NPC121018 |
Remote Similarity | 0.6269 | NPC68743 |
Remote Similarity | 0.6269 | NPC60830 |
Remote Similarity | 0.6265 | NPC60849 |
Remote Similarity | 0.6265 | NPC472352 |
Remote Similarity | 0.6265 | NPC477332 |
Remote Similarity | 0.625 | NPC477323 |
Remote Similarity | 0.625 | NPC109887 |
Remote Similarity | 0.625 | NPC477326 |
Remote Similarity | 0.625 | NPC475425 |
Remote Similarity | 0.625 | NPC113745 |
Remote Similarity | 0.625 | NPC477325 |
Remote Similarity | 0.625 | NPC477320 |
Remote Similarity | 0.625 | NPC281563 |
Remote Similarity | 0.625 | NPC477329 |
Remote Similarity | 0.625 | NPC477330 |
Remote Similarity | 0.625 | NPC133377 |
Remote Similarity | 0.625 | NPC477328 |
Remote Similarity | 0.625 | NPC146380 |
Remote Similarity | 0.6176 | NPC148424 |
Remote Similarity | 0.6173 | NPC477346 |
Remote Similarity | 0.6173 | NPC146992 |
Remote Similarity | 0.6173 | NPC85759 |
Remote Similarity | 0.6173 | NPC294748 |
Remote Similarity | 0.6173 | NPC158302 |
Remote Similarity | 0.6173 | NPC22742 |
Remote Similarity | 0.6173 | NPC477344 |
Remote Similarity | 0.6167 | NPC320189 |
Remote Similarity | 0.6133 | NPC67099 |
Remote Similarity | 0.6119 | NPC469937 |
Remote Similarity | 0.6119 | NPC23155 |
Remote Similarity | 0.6119 | NPC320588 |
Remote Similarity | 0.6119 | NPC53463 |
Remote Similarity | 0.6098 | NPC267592 |
Remote Similarity | 0.6094 | NPC293378 |
Remote Similarity | 0.6087 | NPC219040 |
Remote Similarity | 0.6087 | NPC472025 |
Remote Similarity | 0.6047 | NPC470657 |
Remote Similarity | 0.6032 | NPC252918 |
Remote Similarity | 0.6032 | NPC230789 |
Remote Similarity | 0.6024 | NPC472202 |
Remote Similarity | 0.6024 | NPC89843 |
Remote Similarity | 0.6024 | NPC236649 |
Remote Similarity | 0.6024 | NPC477331 |
Remote Similarity | 0.6024 | NPC183888 |
Remote Similarity | 0.6024 | NPC224953 |
Remote Similarity | 0.6024 | NPC143421 |
Remote Similarity | 0.6024 | NPC477319 |
Remote Similarity | 0.6024 | NPC472203 |
Remote Similarity | 0.6024 | NPC472204 |
Remote Similarity | 0.6024 | NPC307400 |
Remote Similarity | 0.6024 | NPC290012 |
Remote Similarity | 0.6024 | NPC184915 |
Remote Similarity | 0.6024 | NPC472200 |
Remote Similarity | 0.6024 | NPC115013 |
Remote Similarity | 0.6024 | NPC472205 |
Remote Similarity | 0.6024 | NPC477318 |
Remote Similarity | 0.6024 | NPC477317 |
Remote Similarity | 0.6024 | NPC126685 |
Remote Similarity | 0.6024 | NPC44782 |
Remote Similarity | 0.6024 | NPC472201 |
Remote Similarity | 0.6024 | NPC21693 |
Remote Similarity | 0.6024 | NPC123204 |
Remote Similarity | 0.6024 | NPC259294 |
Remote Similarity | 0.6024 | NPC169345 |
Remote Similarity | 0.6024 | NPC119583 |
Remote Similarity | 0.6024 | NPC27289 |
Remote Similarity | 0.6 | NPC290179 |
Remote Similarity | 0.6 | NPC34877 |
Remote Similarity | 0.6 | NPC469925 |
Molecular Weight   | 193.03 |
ALogP   | -3.089 |
MLogP   | 1.35 |
XLogP   | -2.45 |
HDA   | 7 |
HBD   | 4 |
Rotatable Bonds   | 6 |
TPSA   | 130.28 |
RO5 Violation   | 0 |