Drug ID:   | NPD6899 |
Drug Name:   | Prednisolone Tebutate |
Molecular Formula:   | C27H38O6 |
Canonical SMILES:   | O=C(CC(C)(C)C)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C |
Standard InCHI:   | InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1 |
Standard InCHIKey:   | HUMXXHTVHHLNRO-KAJVQRHHSA-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 | 0.9899 | NPC44063 |
High Similarity | 0.9703 | NPC2766 |
High Similarity | 0.9293 | NPC144956 |
High Similarity | 0.9118 | NPC235889 |
High Similarity | 0.9091 | NPC18509 |
High Similarity | 0.9057 | NPC71348 |
High Similarity | 0.9029 | NPC181265 |
High Similarity | 0.8981 | NPC270958 |
High Similarity | 0.8962 | NPC43775 |
High Similarity | 0.8932 | NPC137657 |
High Similarity | 0.8922 | NPC22388 |
High Similarity | 0.8899 | NPC471854 |
High Similarity | 0.8879 | NPC100267 |
High Similarity | 0.8879 | NPC475524 |
High Similarity | 0.8868 | NPC197428 |
High Similarity | 0.8818 | NPC118638 |
High Similarity | 0.8818 | NPC257457 |
High Similarity | 0.8818 | NPC311554 |
High Similarity | 0.8796 | NPC202889 |
High Similarity | 0.8785 | NPC118860 |
High Similarity | 0.8785 | NPC214797 |
High Similarity | 0.8785 | NPC231589 |
High Similarity | 0.8774 | NPC241927 |
High Similarity | 0.8774 | NPC258543 |
High Similarity | 0.8762 | NPC475294 |
High Similarity | 0.875 | NPC29705 |
High Similarity | 0.8738 | NPC271266 |
High Similarity | 0.8738 | NPC308351 |
High Similarity | 0.8704 | NPC170487 |
High Similarity | 0.8679 | NPC94529 |
High Similarity | 0.8667 | NPC196528 |
High Similarity | 0.8654 | NPC311612 |
High Similarity | 0.8641 | NPC476240 |
High Similarity | 0.8641 | NPC224720 |
High Similarity | 0.8641 | NPC476223 |
High Similarity | 0.8636 | NPC148458 |
High Similarity | 0.8627 | NPC114274 |
High Similarity | 0.8627 | NPC477854 |
High Similarity | 0.8624 | NPC194100 |
High Similarity | 0.8614 | NPC328162 |
High Similarity | 0.8614 | NPC305483 |
High Similarity | 0.8614 | NPC96859 |
High Similarity | 0.8598 | NPC41405 |
High Similarity | 0.8598 | NPC214644 |
High Similarity | 0.8598 | NPC304495 |
High Similarity | 0.8586 | NPC168027 |
High Similarity | 0.8586 | NPC185936 |
High Similarity | 0.8585 | NPC185 |
High Similarity | 0.8585 | NPC220974 |
High Similarity | 0.8559 | NPC239273 |
High Similarity | 0.8558 | NPC308726 |
High Similarity | 0.8558 | NPC87351 |
High Similarity | 0.8558 | NPC119601 |
High Similarity | 0.8558 | NPC136289 |
High Similarity | 0.8558 | NPC473928 |
High Similarity | 0.8544 | NPC476274 |
High Similarity | 0.8532 | NPC147180 |
High Similarity | 0.8532 | NPC221144 |
High Similarity | 0.8532 | NPC264634 |
High Similarity | 0.8532 | NPC280782 |
High Similarity | 0.8529 | NPC108078 |
High Similarity | 0.8519 | NPC235077 |
High Similarity | 0.8515 | NPC317586 |
High Similarity | 0.8515 | NPC470016 |
High Similarity | 0.8515 | NPC477438 |
High Similarity | 0.8515 | NPC477437 |
High Similarity | 0.8515 | NPC469599 |
High Similarity | 0.85 | NPC477435 |
High Similarity | 0.85 | NPC470375 |
High Similarity | 0.85 | NPC477436 |
High Similarity | 0.85 | NPC470376 |
High Similarity | 0.85 | NPC109414 |
Intermediate Similarity | 0.8491 | NPC470267 |
Intermediate Similarity | 0.8491 | NPC265127 |
Intermediate Similarity | 0.8491 | NPC231530 |
Intermediate Similarity | 0.8491 | NPC278628 |
Intermediate Similarity | 0.8476 | NPC140723 |
Intermediate Similarity | 0.8462 | NPC81530 |
Intermediate Similarity | 0.8462 | NPC477053 |
Intermediate Similarity | 0.8462 | NPC477052 |
Intermediate Similarity | 0.8462 | NPC163372 |
Intermediate Similarity | 0.8462 | NPC477051 |
Intermediate Similarity | 0.8462 | NPC302537 |
Intermediate Similarity | 0.8455 | NPC52634 |
Intermediate Similarity | 0.8455 | NPC962 |
Intermediate Similarity | 0.8455 | NPC250109 |
Intermediate Similarity | 0.8431 | NPC477853 |
Intermediate Similarity | 0.8431 | NPC49371 |
Intermediate Similarity | 0.8416 | NPC477439 |
Intermediate Similarity | 0.8416 | NPC166906 |
Intermediate Similarity | 0.8416 | NPC111015 |
Intermediate Similarity | 0.8407 | NPC61520 |
Intermediate Similarity | 0.84 | NPC154101 |
Intermediate Similarity | 0.8384 | NPC310010 |
Intermediate Similarity | 0.8384 | NPC305039 |
Intermediate Similarity | 0.8384 | NPC474704 |
Intermediate Similarity | 0.8384 | NPC475921 |
Intermediate Similarity | 0.8384 | NPC326627 |
Intermediate Similarity | 0.8381 | NPC477054 |
Intermediate Similarity | 0.8365 | NPC474720 |
Intermediate Similarity | 0.8365 | NPC15390 |
Intermediate Similarity | 0.8365 | NPC472972 |
Intermediate Similarity | 0.8365 | NPC83709 |
Intermediate Similarity | 0.8364 | NPC152117 |
Intermediate Similarity | 0.8364 | NPC234042 |
Intermediate Similarity | 0.8362 | NPC473255 |
Intermediate Similarity | 0.835 | NPC473456 |
Intermediate Similarity | 0.835 | NPC43747 |
Intermediate Similarity | 0.835 | NPC57416 |
Intermediate Similarity | 0.835 | NPC107243 |
Intermediate Similarity | 0.8349 | NPC5284 |
Intermediate Similarity | 0.8348 | NPC313528 |
Intermediate Similarity | 0.8348 | NPC222688 |
Intermediate Similarity | 0.8333 | NPC184848 |
Intermediate Similarity | 0.8333 | NPC109973 |
Intermediate Similarity | 0.8333 | NPC469844 |
Intermediate Similarity | 0.8333 | NPC69548 |
Intermediate Similarity | 0.8333 | NPC472825 |
Intermediate Similarity | 0.8333 | NPC470269 |
Intermediate Similarity | 0.8333 | NPC177064 |
Intermediate Similarity | 0.8319 | NPC329736 |
Intermediate Similarity | 0.8318 | NPC257353 |
Intermediate Similarity | 0.8318 | NPC475571 |
Intermediate Similarity | 0.8318 | NPC60681 |
Intermediate Similarity | 0.8317 | NPC79117 |
Intermediate Similarity | 0.8317 | NPC294263 |
Intermediate Similarity | 0.8304 | NPC49492 |
Intermediate Similarity | 0.8304 | NPC298278 |
Intermediate Similarity | 0.8304 | NPC266728 |
Intermediate Similarity | 0.8302 | NPC470839 |
Intermediate Similarity | 0.8302 | NPC236390 |
Intermediate Similarity | 0.8302 | NPC179208 |
Intermediate Similarity | 0.8302 | NPC264048 |
Intermediate Similarity | 0.8302 | NPC111323 |
Intermediate Similarity | 0.8302 | NPC191892 |
Intermediate Similarity | 0.8302 | NPC70967 |
Intermediate Similarity | 0.8302 | NPC112009 |
Intermediate Similarity | 0.8302 | NPC33973 |
Intermediate Similarity | 0.83 | NPC471896 |
Intermediate Similarity | 0.8288 | NPC255017 |
Intermediate Similarity | 0.8288 | NPC472926 |
Intermediate Similarity | 0.8286 | NPC474327 |
Intermediate Similarity | 0.8283 | NPC328539 |
Intermediate Similarity | 0.8276 | NPC473979 |
Intermediate Similarity | 0.8273 | NPC207689 |
Intermediate Similarity | 0.8269 | NPC176845 |
Intermediate Similarity | 0.8269 | NPC477813 |
Intermediate Similarity | 0.8269 | NPC197386 |
Intermediate Similarity | 0.8269 | NPC222011 |
Intermediate Similarity | 0.8257 | NPC475941 |
Intermediate Similarity | 0.8257 | NPC474901 |
Intermediate Similarity | 0.8252 | NPC471039 |
Intermediate Similarity | 0.8252 | NPC249954 |
Intermediate Similarity | 0.8252 | NPC173272 |
Intermediate Similarity | 0.8252 | NPC95565 |
Intermediate Similarity | 0.8252 | NPC192428 |
Intermediate Similarity | 0.8252 | NPC471153 |
Intermediate Similarity | 0.8246 | NPC472933 |
Intermediate Similarity | 0.8241 | NPC472925 |
Intermediate Similarity | 0.8241 | NPC83744 |
Intermediate Similarity | 0.8235 | NPC169751 |
Intermediate Similarity | 0.8235 | NPC272635 |
Intermediate Similarity | 0.8235 | NPC245972 |
Intermediate Similarity | 0.8235 | NPC196485 |
Intermediate Similarity | 0.823 | NPC243065 |
Intermediate Similarity | 0.823 | NPC476965 |
Intermediate Similarity | 0.823 | NPC470959 |
Intermediate Similarity | 0.8224 | NPC96268 |
Intermediate Similarity | 0.8224 | NPC255309 |
Intermediate Similarity | 0.8224 | NPC2436 |
Intermediate Similarity | 0.8224 | NPC216245 |
Intermediate Similarity | 0.8224 | NPC472228 |
Intermediate Similarity | 0.8224 | NPC472227 |
Intermediate Similarity | 0.8224 | NPC149124 |
Intermediate Similarity | 0.8224 | NPC75531 |
Intermediate Similarity | 0.8224 | NPC471293 |
Intermediate Similarity | 0.8224 | NPC135854 |
Intermediate Similarity | 0.8224 | NPC470251 |
Intermediate Similarity | 0.822 | NPC470882 |
Intermediate Similarity | 0.822 | NPC473253 |
Intermediate Similarity | 0.822 | NPC473265 |
Intermediate Similarity | 0.8218 | NPC23434 |
Intermediate Similarity | 0.8218 | NPC272746 |
Intermediate Similarity | 0.8218 | NPC218301 |
Intermediate Similarity | 0.8214 | NPC470953 |
Intermediate Similarity | 0.8214 | NPC473798 |
Intermediate Similarity | 0.8208 | NPC477915 |
Intermediate Similarity | 0.8208 | NPC473424 |
Intermediate Similarity | 0.8208 | NPC204450 |
Intermediate Similarity | 0.8208 | NPC185530 |
Intermediate Similarity | 0.8208 | NPC195290 |
Intermediate Similarity | 0.8208 | NPC473163 |
Intermediate Similarity | 0.82 | NPC31985 |
Intermediate Similarity | 0.82 | NPC86319 |
Intermediate Similarity | 0.82 | NPC1015 |
Intermediate Similarity | 0.82 | NPC477943 |
Intermediate Similarity | 0.82 | NPC275740 |
Intermediate Similarity | 0.82 | NPC76879 |
Intermediate Similarity | 0.82 | NPC474245 |
Intermediate Similarity | 0.8198 | NPC475970 |
Molecular Weight   | 458.27 |
ALogP   | 1.1025 |
MLogP   | 3.77 |
XLogP   | 3.268 |
HDA   | 6 |
HBD   | 2 |
Rotatable Bonds   | 13 |
TPSA   | 100.9 |
RO5 Violation   | 0 |