Drug ID:   | NPD556 |
Drug Name:   | Methocarbamol |
Molecular Formula:   | C11H15NO5 |
Canonical SMILES:   | COc1ccccc1OCC(COC(=N)O)O |
Standard InCHI:   | InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14) |
Standard InCHIKey:   | GNXFOGHNGIVQEH-UHFFFAOYSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; ChEMBL; IUPHAR/BPS |
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 | 0.9135 | NPC41594 |
Intermediate Similarity | 0.8416 | NPC318429 |
Intermediate Similarity | 0.8381 | NPC314803 |
Intermediate Similarity | 0.8261 | NPC9248 |
Intermediate Similarity | 0.819 | NPC228907 |
Intermediate Similarity | 0.8119 | NPC206876 |
Intermediate Similarity | 0.8 | NPC114325 |
Intermediate Similarity | 0.7983 | NPC276195 |
Intermediate Similarity | 0.787 | NPC132725 |
Intermediate Similarity | 0.7869 | NPC221090 |
Intermediate Similarity | 0.7869 | NPC25817 |
Intermediate Similarity | 0.7857 | NPC194034 |
Intermediate Similarity | 0.7851 | NPC152722 |
Intermediate Similarity | 0.7845 | NPC142319 |
Intermediate Similarity | 0.7838 | NPC17537 |
Intermediate Similarity | 0.7807 | NPC46844 |
Intermediate Similarity | 0.7787 | NPC192810 |
Intermediate Similarity | 0.7787 | NPC217854 |
Intermediate Similarity | 0.7742 | NPC298845 |
Intermediate Similarity | 0.7739 | NPC55300 |
Intermediate Similarity | 0.768 | NPC37074 |
Intermediate Similarity | 0.7679 | NPC307875 |
Intermediate Similarity | 0.7674 | NPC264956 |
Intermediate Similarity | 0.7672 | NPC165646 |
Intermediate Similarity | 0.7619 | NPC247146 |
Intermediate Similarity | 0.7619 | NPC302378 |
Intermediate Similarity | 0.76 | NPC171533 |
Intermediate Similarity | 0.76 | NPC189589 |
Intermediate Similarity | 0.76 | NPC469622 |
Intermediate Similarity | 0.7559 | NPC166040 |
Intermediate Similarity | 0.7559 | NPC248355 |
Intermediate Similarity | 0.7559 | NPC270849 |
Intermediate Similarity | 0.7559 | NPC26653 |
Intermediate Similarity | 0.7544 | NPC258171 |
Intermediate Similarity | 0.7544 | NPC227894 |
Intermediate Similarity | 0.75 | NPC60756 |
Intermediate Similarity | 0.75 | NPC80600 |
Intermediate Similarity | 0.75 | NPC472024 |
Intermediate Similarity | 0.7459 | NPC60589 |
Intermediate Similarity | 0.7459 | NPC469708 |
Intermediate Similarity | 0.7456 | NPC232654 |
Intermediate Similarity | 0.7442 | NPC287780 |
Intermediate Similarity | 0.744 | NPC114901 |
Intermediate Similarity | 0.744 | NPC293701 |
Intermediate Similarity | 0.744 | NPC48990 |
Intermediate Similarity | 0.7436 | NPC139617 |
Intermediate Similarity | 0.7436 | NPC78918 |
Intermediate Similarity | 0.7419 | NPC71090 |
Intermediate Similarity | 0.7411 | NPC51633 |
Intermediate Similarity | 0.7402 | NPC469621 |
Intermediate Similarity | 0.7402 | NPC198798 |
Intermediate Similarity | 0.7398 | NPC199023 |
Intermediate Similarity | 0.7398 | NPC198734 |
Intermediate Similarity | 0.7398 | NPC469412 |
Intermediate Similarity | 0.7398 | NPC269242 |
Intermediate Similarity | 0.7391 | NPC124712 |
Intermediate Similarity | 0.7385 | NPC162093 |
Intermediate Similarity | 0.7377 | NPC37858 |
Intermediate Similarity | 0.7377 | NPC24474 |
Intermediate Similarity | 0.7377 | NPC311595 |
Intermediate Similarity | 0.7377 | NPC135961 |
Intermediate Similarity | 0.7373 | NPC115379 |
Intermediate Similarity | 0.7364 | NPC208769 |
Intermediate Similarity | 0.735 | NPC137685 |
Intermediate Similarity | 0.7345 | NPC192596 |
Intermediate Similarity | 0.7339 | NPC470804 |
Intermediate Similarity | 0.7339 | NPC226712 |
Intermediate Similarity | 0.7339 | NPC57751 |
Intermediate Similarity | 0.7328 | NPC25821 |
Intermediate Similarity | 0.7328 | NPC60982 |
Intermediate Similarity | 0.7328 | NPC49074 |
Intermediate Similarity | 0.7327 | NPC124576 |
Intermediate Similarity | 0.7317 | NPC148615 |
Intermediate Similarity | 0.7317 | NPC35071 |
Intermediate Similarity | 0.7317 | NPC177475 |
Intermediate Similarity | 0.7308 | NPC23837 |
Intermediate Similarity | 0.7308 | NPC125306 |
Intermediate Similarity | 0.7308 | NPC166168 |
Intermediate Similarity | 0.7308 | NPC9912 |
Intermediate Similarity | 0.7302 | NPC109822 |
Intermediate Similarity | 0.7302 | NPC94276 |
Intermediate Similarity | 0.7297 | NPC313918 |
Intermediate Similarity | 0.7295 | NPC474214 |
Intermediate Similarity | 0.7295 | NPC255675 |
Intermediate Similarity | 0.7295 | NPC101503 |
Intermediate Similarity | 0.7295 | NPC124916 |
Intermediate Similarity | 0.7288 | NPC245552 |
Intermediate Similarity | 0.7287 | NPC307110 |
Intermediate Similarity | 0.7281 | NPC38079 |
Intermediate Similarity | 0.7281 | NPC108875 |
Intermediate Similarity | 0.728 | NPC209567 |
Intermediate Similarity | 0.7273 | NPC187194 |
Intermediate Similarity | 0.7266 | NPC319625 |
Intermediate Similarity | 0.7266 | NPC292056 |
Intermediate Similarity | 0.7266 | NPC41706 |
Intermediate Similarity | 0.7266 | NPC147821 |
Intermediate Similarity | 0.7266 | NPC111247 |
Intermediate Similarity | 0.7266 | NPC163332 |
Intermediate Similarity | 0.7266 | NPC118787 |
Intermediate Similarity | 0.7266 | NPC474119 |
Intermediate Similarity | 0.7266 | NPC183181 |
Intermediate Similarity | 0.7265 | NPC36108 |
Intermediate Similarity | 0.7265 | NPC233731 |
Intermediate Similarity | 0.7265 | NPC127326 |
Intermediate Similarity | 0.7265 | NPC246358 |
Intermediate Similarity | 0.7265 | NPC7097 |
Intermediate Similarity | 0.7257 | NPC310905 |
Intermediate Similarity | 0.7257 | NPC12714 |
Intermediate Similarity | 0.7252 | NPC299144 |
Intermediate Similarity | 0.7244 | NPC194519 |
Intermediate Similarity | 0.7236 | NPC181969 |
Intermediate Similarity | 0.7236 | NPC320987 |
Intermediate Similarity | 0.7236 | NPC474320 |
Intermediate Similarity | 0.7232 | NPC307039 |
Intermediate Similarity | 0.7218 | NPC470236 |
Intermediate Similarity | 0.7218 | NPC55040 |
Intermediate Similarity | 0.7217 | NPC470393 |
Intermediate Similarity | 0.7213 | NPC164386 |
Intermediate Similarity | 0.7203 | NPC247871 |
Intermediate Similarity | 0.72 | NPC343720 |
Intermediate Similarity | 0.72 | NPC312675 |
Intermediate Similarity | 0.72 | NPC324571 |
Intermediate Similarity | 0.72 | NPC473853 |
Intermediate Similarity | 0.72 | NPC113865 |
Intermediate Similarity | 0.72 | NPC262156 |
Intermediate Similarity | 0.72 | NPC290451 |
Intermediate Similarity | 0.72 | NPC127389 |
Intermediate Similarity | 0.72 | NPC476343 |
Intermediate Similarity | 0.72 | NPC193484 |
Intermediate Similarity | 0.72 | NPC470212 |
Intermediate Similarity | 0.72 | NPC54872 |
Intermediate Similarity | 0.72 | NPC184651 |
Intermediate Similarity | 0.7197 | NPC69513 |
Intermediate Similarity | 0.7197 | NPC215833 |
Intermediate Similarity | 0.7196 | NPC157213 |
Intermediate Similarity | 0.7188 | NPC58607 |
Intermediate Similarity | 0.7188 | NPC191037 |
Intermediate Similarity | 0.7188 | NPC178284 |
Intermediate Similarity | 0.7177 | NPC202474 |
Intermediate Similarity | 0.7177 | NPC229401 |
Intermediate Similarity | 0.7176 | NPC248307 |
Intermediate Similarity | 0.7176 | NPC65942 |
Intermediate Similarity | 0.7167 | NPC301735 |
Intermediate Similarity | 0.7167 | NPC303522 |
Intermediate Similarity | 0.7165 | NPC287429 |
Intermediate Similarity | 0.7164 | NPC37468 |
Intermediate Similarity | 0.7164 | NPC25695 |
Intermediate Similarity | 0.7164 | NPC164857 |
Intermediate Similarity | 0.7164 | NPC172818 |
Intermediate Similarity | 0.7164 | NPC104167 |
Intermediate Similarity | 0.7155 | NPC473653 |
Intermediate Similarity | 0.7154 | NPC210623 |
Intermediate Similarity | 0.7154 | NPC273295 |
Intermediate Similarity | 0.7154 | NPC3439 |
Intermediate Similarity | 0.7154 | NPC190629 |
Intermediate Similarity | 0.7154 | NPC159916 |
Intermediate Similarity | 0.7154 | NPC226788 |
Intermediate Similarity | 0.7154 | NPC470258 |
Intermediate Similarity | 0.7154 | NPC86030 |
Intermediate Similarity | 0.7154 | NPC202582 |
Intermediate Similarity | 0.7154 | NPC5851 |
Intermediate Similarity | 0.7154 | NPC285339 |
Intermediate Similarity | 0.7154 | NPC218856 |
Intermediate Similarity | 0.7154 | NPC222004 |
Intermediate Similarity | 0.7143 | NPC13745 |
Intermediate Similarity | 0.7143 | NPC8547 |
Intermediate Similarity | 0.7143 | NPC476411 |
Intermediate Similarity | 0.7143 | NPC257124 |
Intermediate Similarity | 0.7143 | NPC195873 |
Intermediate Similarity | 0.7143 | NPC48863 |
Intermediate Similarity | 0.7143 | NPC87696 |
Intermediate Similarity | 0.7143 | NPC251981 |
Intermediate Similarity | 0.7143 | NPC476142 |
Intermediate Similarity | 0.7143 | NPC156840 |
Intermediate Similarity | 0.7143 | NPC173746 |
Intermediate Similarity | 0.7131 | NPC221049 |
Intermediate Similarity | 0.713 | NPC283546 |
Intermediate Similarity | 0.713 | NPC302546 |
Intermediate Similarity | 0.713 | NPC292792 |
Intermediate Similarity | 0.7121 | NPC252833 |
Intermediate Similarity | 0.712 | NPC183262 |
Intermediate Similarity | 0.712 | NPC207613 |
Intermediate Similarity | 0.712 | NPC267064 |
Intermediate Similarity | 0.712 | NPC204466 |
Intermediate Similarity | 0.7111 | NPC470413 |
Intermediate Similarity | 0.7111 | NPC138738 |
Intermediate Similarity | 0.7109 | NPC141739 |
Intermediate Similarity | 0.7109 | NPC12308 |
Intermediate Similarity | 0.7109 | NPC470510 |
Intermediate Similarity | 0.7109 | NPC27352 |
Intermediate Similarity | 0.7109 | NPC136112 |
Intermediate Similarity | 0.7109 | NPC320242 |
Intermediate Similarity | 0.7107 | NPC294941 |
Intermediate Similarity | 0.7099 | NPC472338 |
Intermediate Similarity | 0.7094 | NPC251306 |
Intermediate Similarity | 0.7087 | NPC21238 |
Intermediate Similarity | 0.708 | NPC100870 |
Intermediate Similarity | 0.7077 | NPC72529 |
Intermediate Similarity | 0.7073 | NPC76915 |
Intermediate Similarity | 0.7073 | NPC151617 |
TTD   | DIB014373 |
DrugBank   | DB00423 |
ChEMBL   | CHEMBL1201117 |
IUPHAR/BPS   | 6829 |
PharmaGKB   | PA164749506 |
KEGG Drug   | D00402 |
PubChem CID   | 4107 |
ChEBI   | 77498 |
CAS Number   | 532-03-6 |
Molecular Weight   | 241.10 |
ALogP   | -0.2242 |
MLogP   | 2.01 |
XLogP   | 1.523 |
HDA   | 4 |
HBD   | 3 |
Rotatable Bonds   | 10 |
TPSA   | 92 |
RO5 Violation   | 0 |