Drug ID:   | NPD6649 |
Drug Name:   | Methylprednisolone Sodium Succinate |
Molecular Formula:   | C26H34O8.Na |
Canonical SMILES:   | [O-]C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)C.[Na+] |
Standard InCHI:   | InChI=1S/C26H34O8.Na/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24;/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31);/q;+1/p-1/t14-,16-,17-,19-,23+,24-,25-,26-;/m0./s1 |
Standard InCHIKey:   | FQISKWAFAHGMGT-SGJOWKDISA-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 | 0.9608 | NPC44063 |
High Similarity | 0.9423 | NPC2766 |
High Similarity | 0.9083 | NPC270958 |
High Similarity | 0.902 | NPC144956 |
High Similarity | 0.9 | NPC471854 |
High Similarity | 0.8981 | NPC475524 |
High Similarity | 0.8981 | NPC100267 |
High Similarity | 0.8981 | NPC71348 |
High Similarity | 0.8919 | NPC118638 |
High Similarity | 0.8919 | NPC311554 |
High Similarity | 0.8919 | NPC257457 |
High Similarity | 0.8899 | NPC202889 |
High Similarity | 0.8889 | NPC43775 |
High Similarity | 0.8857 | NPC235889 |
High Similarity | 0.8857 | NPC137657 |
High Similarity | 0.8824 | NPC18509 |
High Similarity | 0.8807 | NPC170487 |
High Similarity | 0.8774 | NPC196528 |
High Similarity | 0.8774 | NPC181265 |
High Similarity | 0.8739 | NPC148458 |
High Similarity | 0.8727 | NPC52634 |
High Similarity | 0.8716 | NPC118860 |
High Similarity | 0.8716 | NPC231589 |
High Similarity | 0.8716 | NPC214797 |
High Similarity | 0.8704 | NPC241927 |
High Similarity | 0.8704 | NPC304495 |
High Similarity | 0.8704 | NPC258543 |
High Similarity | 0.8692 | NPC220974 |
High Similarity | 0.8679 | NPC29705 |
High Similarity | 0.8667 | NPC22388 |
High Similarity | 0.8661 | NPC239273 |
High Similarity | 0.8636 | NPC280782 |
High Similarity | 0.8636 | NPC221144 |
High Similarity | 0.8636 | NPC147180 |
High Similarity | 0.8636 | NPC264634 |
High Similarity | 0.8624 | NPC197428 |
High Similarity | 0.8585 | NPC33973 |
High Similarity | 0.8585 | NPC70967 |
High Similarity | 0.8585 | NPC311612 |
High Similarity | 0.8571 | NPC476240 |
High Similarity | 0.8571 | NPC476223 |
High Similarity | 0.8571 | NPC224720 |
High Similarity | 0.8559 | NPC962 |
High Similarity | 0.8559 | NPC250109 |
High Similarity | 0.8532 | NPC214644 |
High Similarity | 0.8519 | NPC475294 |
High Similarity | 0.8519 | NPC185 |
High Similarity | 0.8505 | NPC470251 |
High Similarity | 0.8505 | NPC2436 |
High Similarity | 0.8505 | NPC216245 |
High Similarity | 0.8505 | NPC135854 |
Intermediate Similarity | 0.8491 | NPC87351 |
Intermediate Similarity | 0.8491 | NPC308351 |
Intermediate Similarity | 0.8491 | NPC136289 |
Intermediate Similarity | 0.8491 | NPC473928 |
Intermediate Similarity | 0.8491 | NPC271266 |
Intermediate Similarity | 0.8476 | NPC476274 |
Intermediate Similarity | 0.8462 | NPC473255 |
Intermediate Similarity | 0.8448 | NPC222688 |
Intermediate Similarity | 0.8447 | NPC477437 |
Intermediate Similarity | 0.8447 | NPC469599 |
Intermediate Similarity | 0.8447 | NPC477438 |
Intermediate Similarity | 0.844 | NPC94529 |
Intermediate Similarity | 0.844 | NPC470269 |
Intermediate Similarity | 0.844 | NPC295244 |
Intermediate Similarity | 0.8435 | NPC109973 |
Intermediate Similarity | 0.8431 | NPC470376 |
Intermediate Similarity | 0.8431 | NPC470375 |
Intermediate Similarity | 0.8426 | NPC470267 |
Intermediate Similarity | 0.8411 | NPC140723 |
Intermediate Similarity | 0.8411 | NPC236390 |
Intermediate Similarity | 0.8407 | NPC266728 |
Intermediate Similarity | 0.8407 | NPC49492 |
Intermediate Similarity | 0.8396 | NPC477051 |
Intermediate Similarity | 0.8396 | NPC124211 |
Intermediate Similarity | 0.8396 | NPC81530 |
Intermediate Similarity | 0.8396 | NPC477052 |
Intermediate Similarity | 0.8396 | NPC477053 |
Intermediate Similarity | 0.8393 | NPC194100 |
Intermediate Similarity | 0.8393 | NPC472929 |
Intermediate Similarity | 0.8381 | NPC114274 |
Intermediate Similarity | 0.8381 | NPC477854 |
Intermediate Similarity | 0.8365 | NPC192428 |
Intermediate Similarity | 0.8365 | NPC49371 |
Intermediate Similarity | 0.8365 | NPC96859 |
Intermediate Similarity | 0.8365 | NPC95565 |
Intermediate Similarity | 0.8365 | NPC328162 |
Intermediate Similarity | 0.8365 | NPC305483 |
Intermediate Similarity | 0.8364 | NPC41405 |
Intermediate Similarity | 0.835 | NPC477439 |
Intermediate Similarity | 0.8349 | NPC201908 |
Intermediate Similarity | 0.8349 | NPC176949 |
Intermediate Similarity | 0.8348 | NPC61520 |
Intermediate Similarity | 0.8348 | NPC472933 |
Intermediate Similarity | 0.8333 | NPC185936 |
Intermediate Similarity | 0.8333 | NPC243065 |
Intermediate Similarity | 0.8333 | NPC154101 |
Intermediate Similarity | 0.8333 | NPC168027 |
Intermediate Similarity | 0.8333 | NPC472934 |
Intermediate Similarity | 0.8319 | NPC473265 |
Intermediate Similarity | 0.8319 | NPC470882 |
Intermediate Similarity | 0.8319 | NPC473798 |
Intermediate Similarity | 0.8318 | NPC308726 |
Intermediate Similarity | 0.8318 | NPC477054 |
Intermediate Similarity | 0.8318 | NPC119601 |
Intermediate Similarity | 0.8318 | NPC195290 |
Intermediate Similarity | 0.8318 | NPC204450 |
Intermediate Similarity | 0.8318 | NPC53222 |
Intermediate Similarity | 0.8302 | NPC474720 |
Intermediate Similarity | 0.8302 | NPC88198 |
Intermediate Similarity | 0.8302 | NPC157787 |
Intermediate Similarity | 0.8288 | NPC235077 |
Intermediate Similarity | 0.8286 | NPC226986 |
Intermediate Similarity | 0.8286 | NPC57416 |
Intermediate Similarity | 0.8286 | NPC107243 |
Intermediate Similarity | 0.8286 | NPC23680 |
Intermediate Similarity | 0.8286 | NPC108078 |
Intermediate Similarity | 0.8273 | NPC469844 |
Intermediate Similarity | 0.8269 | NPC470016 |
Intermediate Similarity | 0.8269 | NPC69548 |
Intermediate Similarity | 0.8269 | NPC184848 |
Intermediate Similarity | 0.8269 | NPC317586 |
Intermediate Similarity | 0.8261 | NPC329736 |
Intermediate Similarity | 0.8257 | NPC257353 |
Intermediate Similarity | 0.8257 | NPC278628 |
Intermediate Similarity | 0.8257 | NPC475494 |
Intermediate Similarity | 0.8257 | NPC50535 |
Intermediate Similarity | 0.8257 | NPC231530 |
Intermediate Similarity | 0.8257 | NPC60681 |
Intermediate Similarity | 0.8257 | NPC475571 |
Intermediate Similarity | 0.8257 | NPC265127 |
Intermediate Similarity | 0.8252 | NPC109414 |
Intermediate Similarity | 0.8252 | NPC170220 |
Intermediate Similarity | 0.8252 | NPC294263 |
Intermediate Similarity | 0.8252 | NPC477435 |
Intermediate Similarity | 0.8252 | NPC141497 |
Intermediate Similarity | 0.8252 | NPC477436 |
Intermediate Similarity | 0.8252 | NPC107674 |
Intermediate Similarity | 0.8246 | NPC96312 |
Intermediate Similarity | 0.8246 | NPC328374 |
Intermediate Similarity | 0.8246 | NPC251236 |
Intermediate Similarity | 0.8246 | NPC298278 |
Intermediate Similarity | 0.8246 | NPC40632 |
Intermediate Similarity | 0.8241 | NPC111323 |
Intermediate Similarity | 0.8241 | NPC191892 |
Intermediate Similarity | 0.8241 | NPC117185 |
Intermediate Similarity | 0.8241 | NPC36321 |
Intermediate Similarity | 0.8241 | NPC264048 |
Intermediate Similarity | 0.823 | NPC472926 |
Intermediate Similarity | 0.823 | NPC198539 |
Intermediate Similarity | 0.823 | NPC73300 |
Intermediate Similarity | 0.823 | NPC108721 |
Intermediate Similarity | 0.8224 | NPC474327 |
Intermediate Similarity | 0.8224 | NPC163372 |
Intermediate Similarity | 0.8224 | NPC302537 |
Intermediate Similarity | 0.8214 | NPC207689 |
Intermediate Similarity | 0.8214 | NPC470281 |
Intermediate Similarity | 0.8208 | NPC176845 |
Intermediate Similarity | 0.8208 | NPC477813 |
Intermediate Similarity | 0.8205 | NPC470921 |
Intermediate Similarity | 0.8198 | NPC475941 |
Intermediate Similarity | 0.8198 | NPC474901 |
Intermediate Similarity | 0.8198 | NPC470257 |
Intermediate Similarity | 0.8197 | NPC471855 |
Intermediate Similarity | 0.819 | NPC473203 |
Intermediate Similarity | 0.819 | NPC477853 |
Intermediate Similarity | 0.8182 | NPC86852 |
Intermediate Similarity | 0.8182 | NPC221414 |
Intermediate Similarity | 0.8182 | NPC470880 |
Intermediate Similarity | 0.8182 | NPC58370 |
Intermediate Similarity | 0.8182 | NPC251824 |
Intermediate Similarity | 0.8182 | NPC43285 |
Intermediate Similarity | 0.8182 | NPC83744 |
Intermediate Similarity | 0.8182 | NPC165873 |
Intermediate Similarity | 0.8174 | NPC472927 |
Intermediate Similarity | 0.8174 | NPC470959 |
Intermediate Similarity | 0.8174 | NPC476965 |
Intermediate Similarity | 0.8173 | NPC166906 |
Intermediate Similarity | 0.8173 | NPC111015 |
Intermediate Similarity | 0.8173 | NPC159410 |
Intermediate Similarity | 0.8167 | NPC473253 |
Intermediate Similarity | 0.8165 | NPC471293 |
Intermediate Similarity | 0.8165 | NPC472228 |
Intermediate Similarity | 0.8165 | NPC255309 |
Intermediate Similarity | 0.8165 | NPC28656 |
Intermediate Similarity | 0.8165 | NPC472227 |
Intermediate Similarity | 0.8165 | NPC96268 |
Intermediate Similarity | 0.8165 | NPC47281 |
Intermediate Similarity | 0.8155 | NPC110657 |
Intermediate Similarity | 0.8155 | NPC86266 |
Intermediate Similarity | 0.8155 | NPC297265 |
Intermediate Similarity | 0.8155 | NPC23434 |
Intermediate Similarity | 0.8155 | NPC212301 |
Intermediate Similarity | 0.8148 | NPC56498 |
Intermediate Similarity | 0.8148 | NPC477915 |
Intermediate Similarity | 0.8142 | NPC152117 |
Intermediate Similarity | 0.8142 | NPC234042 |
Intermediate Similarity | 0.8142 | NPC90769 |
Intermediate Similarity | 0.8142 | NPC207251 |
Intermediate Similarity | 0.8142 | NPC475970 |
Molecular Weight   | 473.22 |
ALogP   | -1.4587 |
MLogP   | 3.44 |
XLogP   | 0.725 |
HDA   | 8 |
HBD   | 2 |
Rotatable Bonds   | 13 |
TPSA   | 141.03 |
RO5 Violation   | 0 |