Drug ID:   | NPD9455 |
Drug Name:   | Miglitol |
Molecular Formula:   | C8H17NO5 |
Canonical SMILES:   | OCCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O |
Standard InCHI:   | InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1 |
Standard InCHIKey:   | IBAQFPQHRJAVAV-ULAWRXDQSA-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 | 0.9483 | NPC471419 |
High Similarity | 0.9483 | NPC163134 |
High Similarity | 0.9464 | NPC170172 |
High Similarity | 0.8793 | NPC233364 |
High Similarity | 0.8793 | NPC471421 |
High Similarity | 0.8667 | NPC2432 |
High Similarity | 0.8667 | NPC218150 |
High Similarity | 0.8667 | NPC69669 |
High Similarity | 0.8667 | NPC306462 |
High Similarity | 0.8667 | NPC150680 |
High Similarity | 0.8667 | NPC22774 |
High Similarity | 0.8571 | NPC471418 |
High Similarity | 0.8571 | NPC34291 |
High Similarity | 0.8571 | NPC126664 |
Intermediate Similarity | 0.8438 | NPC268922 |
Intermediate Similarity | 0.8387 | NPC75435 |
Intermediate Similarity | 0.8387 | NPC142290 |
Intermediate Similarity | 0.8387 | NPC471780 |
Intermediate Similarity | 0.8387 | NPC198341 |
Intermediate Similarity | 0.8387 | NPC223386 |
Intermediate Similarity | 0.8387 | NPC471892 |
Intermediate Similarity | 0.8254 | NPC286851 |
Intermediate Similarity | 0.8254 | NPC303798 |
Intermediate Similarity | 0.8254 | NPC315980 |
Intermediate Similarity | 0.8182 | NPC476695 |
Intermediate Similarity | 0.8182 | NPC476694 |
Intermediate Similarity | 0.8182 | NPC476696 |
Intermediate Similarity | 0.8167 | NPC143809 |
Intermediate Similarity | 0.8167 | NPC290106 |
Intermediate Similarity | 0.8167 | NPC76726 |
Intermediate Similarity | 0.8167 | NPC193593 |
Intermediate Similarity | 0.8095 | NPC233034 |
Intermediate Similarity | 0.7705 | NPC204709 |
Intermediate Similarity | 0.7647 | NPC28959 |
Intermediate Similarity | 0.7647 | NPC299603 |
Intermediate Similarity | 0.7647 | NPC285014 |
Intermediate Similarity | 0.7647 | NPC255535 |
Intermediate Similarity | 0.7647 | NPC137554 |
Intermediate Similarity | 0.7639 | NPC150557 |
Intermediate Similarity | 0.75 | NPC163538 |
Intermediate Similarity | 0.75 | NPC275727 |
Intermediate Similarity | 0.75 | NPC115800 |
Intermediate Similarity | 0.7463 | NPC474469 |
Intermediate Similarity | 0.7463 | NPC171850 |
Intermediate Similarity | 0.7432 | NPC471420 |
Intermediate Similarity | 0.7397 | NPC98750 |
Intermediate Similarity | 0.7353 | NPC473419 |
Intermediate Similarity | 0.7353 | NPC475715 |
Intermediate Similarity | 0.7353 | NPC475127 |
Intermediate Similarity | 0.7313 | NPC184150 |
Intermediate Similarity | 0.7313 | NPC141156 |
Intermediate Similarity | 0.7297 | NPC70574 |
Intermediate Similarity | 0.7246 | NPC473710 |
Intermediate Similarity | 0.7246 | NPC475694 |
Intermediate Similarity | 0.7206 | NPC266242 |
Intermediate Similarity | 0.7206 | NPC74555 |
Intermediate Similarity | 0.7206 | NPC254617 |
Intermediate Similarity | 0.7206 | NPC306763 |
Intermediate Similarity | 0.7164 | NPC116377 |
Intermediate Similarity | 0.7164 | NPC294883 |
Intermediate Similarity | 0.7164 | NPC101746 |
Intermediate Similarity | 0.7164 | NPC12514 |
Intermediate Similarity | 0.7164 | NPC473952 |
Intermediate Similarity | 0.7164 | NPC69798 |
Intermediate Similarity | 0.7164 | NPC77191 |
Intermediate Similarity | 0.7105 | NPC271772 |
Intermediate Similarity | 0.7105 | NPC36927 |
Intermediate Similarity | 0.7077 | NPC62507 |
Intermediate Similarity | 0.7077 | NPC8087 |
Intermediate Similarity | 0.7059 | NPC59221 |
Intermediate Similarity | 0.7049 | NPC178263 |
Intermediate Similarity | 0.7049 | NPC277072 |
Intermediate Similarity | 0.7042 | NPC474468 |
Remote Similarity | 0.6962 | NPC469363 |
Remote Similarity | 0.6842 | NPC100204 |
Remote Similarity | 0.6842 | NPC83248 |
Remote Similarity | 0.6818 | NPC474014 |
Remote Similarity | 0.6818 | NPC57846 |
Remote Similarity | 0.6818 | NPC30126 |
Remote Similarity | 0.6765 | NPC474928 |
Remote Similarity | 0.6765 | NPC472609 |
Remote Similarity | 0.6761 | NPC223174 |
Remote Similarity | 0.6761 | NPC327753 |
Remote Similarity | 0.6761 | NPC327486 |
Remote Similarity | 0.6719 | NPC293551 |
Remote Similarity | 0.6719 | NPC10262 |
Remote Similarity | 0.6719 | NPC311668 |
Remote Similarity | 0.6719 | NPC65832 |
Remote Similarity | 0.6582 | NPC165119 |
Remote Similarity | 0.6571 | NPC322801 |
Remote Similarity | 0.6571 | NPC129100 |
Remote Similarity | 0.6571 | NPC291650 |
Remote Similarity | 0.6538 | NPC219340 |
Remote Similarity | 0.6486 | NPC315806 |
Remote Similarity | 0.6471 | NPC145627 |
Remote Similarity | 0.6462 | NPC8979 |
Remote Similarity | 0.6364 | NPC314968 |
Remote Similarity | 0.6364 | NPC314772 |
Remote Similarity | 0.6282 | NPC316807 |
Remote Similarity | 0.6265 | NPC306838 |
Remote Similarity | 0.625 | NPC107224 |
Remote Similarity | 0.625 | NPC272396 |
Remote Similarity | 0.6216 | NPC306973 |
Remote Similarity | 0.6164 | NPC23721 |
Remote Similarity | 0.6154 | NPC471423 |
Remote Similarity | 0.6154 | NPC471442 |
Remote Similarity | 0.6087 | NPC112398 |
Remote Similarity | 0.6029 | NPC319991 |
Remote Similarity | 0.6027 | NPC195165 |
Remote Similarity | 0.6026 | NPC329077 |
Remote Similarity | 0.6 | NPC270041 |
Remote Similarity | 0.6 | NPC313821 |
Remote Similarity | 0.6 | NPC318258 |
Remote Similarity | 0.5974 | NPC470993 |
Remote Similarity | 0.5974 | NPC470992 |
Remote Similarity | 0.597 | NPC471605 |
Remote Similarity | 0.597 | NPC471443 |
Remote Similarity | 0.5921 | NPC185084 |
Remote Similarity | 0.5897 | NPC477002 |
Remote Similarity | 0.5862 | NPC266553 |
Remote Similarity | 0.5854 | NPC81006 |
Remote Similarity | 0.5854 | NPC315969 |
Remote Similarity | 0.5846 | NPC123814 |
Remote Similarity | 0.5818 | NPC66052 |
Remote Similarity | 0.5818 | NPC192065 |
Remote Similarity | 0.5818 | NPC325034 |
Remote Similarity | 0.5818 | NPC86412 |
Remote Similarity | 0.5818 | NPC293908 |
Remote Similarity | 0.5814 | NPC52533 |
Remote Similarity | 0.5806 | NPC81384 |
Remote Similarity | 0.5802 | NPC90839 |
Remote Similarity | 0.5789 | NPC477200 |
Remote Similarity | 0.5783 | NPC263058 |
Remote Similarity | 0.5781 | NPC224624 |
Remote Similarity | 0.5775 | NPC17455 |
Remote Similarity | 0.5714 | NPC121062 |
Remote Similarity | 0.5714 | NPC96966 |
Remote Similarity | 0.5714 | NPC55274 |
Remote Similarity | 0.5714 | NPC474627 |
Remote Similarity | 0.5714 | NPC29326 |
Remote Similarity | 0.5714 | NPC29222 |
Remote Similarity | 0.5714 | NPC328786 |
Remote Similarity | 0.5714 | NPC201338 |
Remote Similarity | 0.5699 | NPC315170 |
Remote Similarity | 0.5696 | NPC244539 |
Remote Similarity | 0.5663 | NPC288415 |
Remote Similarity | 0.5663 | NPC45906 |
Remote Similarity | 0.5663 | NPC31313 |
Remote Similarity | 0.5663 | NPC149908 |
Remote Similarity | 0.5647 | NPC476523 |
Remote Similarity | 0.5641 | NPC26932 |
Remote Similarity | 0.5625 | NPC313762 |
Remote Similarity | 0.5616 | NPC160661 |
Remote Similarity | 0.5606 | NPC474322 |
Remote Similarity | 0.56 | NPC316445 |
TTD   | DAP000712 |
DrugBank   | DB00491 |
ChEMBL   | CHEMBL1561 |
IUPHAR/BPS   | 4842 |
PharmaGKB   | PA164776726 |
KEGG Drug   | D00625 |
PubChem CID   | 441314 |
ChEBI   | 6935 |
CAS Number   | 72432-03-2 |
Molecular Weight   | 207.11 |
ALogP   | -2.4435 |
MLogP   | 1.68 |
XLogP   | -2.257 |
HDA   | 6 |
HBD   | 5 |
Rotatable Bonds   | 8 |
TPSA   | 104.39 |
RO5 Violation   | 0 |