Drug ID:   | NPD3642 |
Drug Name:   | Nateglinide |
Molecular Formula:   | C19H27NO3 |
Canonical SMILES:   | CC([C@@H]1CC[C@H](CC1)C(=N[C@@H](C(=O)O)Cc1ccccc1)O)C |
Standard InCHI:   | InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1 |
Standard InCHIKey:   | OELFLUMRDSZNSF-BRWVUGGUSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | 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 | 0.902 | NPC12730 |
High Similarity | 0.8889 | NPC319579 |
High Similarity | 0.8727 | NPC474584 |
High Similarity | 0.8692 | NPC327481 |
High Similarity | 0.8585 | NPC164859 |
Intermediate Similarity | 0.8435 | NPC310467 |
Intermediate Similarity | 0.839 | NPC35996 |
Intermediate Similarity | 0.8348 | NPC169328 |
Intermediate Similarity | 0.8304 | NPC329011 |
Intermediate Similarity | 0.8291 | NPC80150 |
Intermediate Similarity | 0.8174 | NPC197470 |
Intermediate Similarity | 0.8145 | NPC246913 |
Intermediate Similarity | 0.8136 | NPC478015 |
Intermediate Similarity | 0.8136 | NPC478014 |
Intermediate Similarity | 0.8136 | NPC190663 |
Intermediate Similarity | 0.8136 | NPC478016 |
Intermediate Similarity | 0.812 | NPC314992 |
Intermediate Similarity | 0.8113 | NPC324569 |
Intermediate Similarity | 0.8113 | NPC293628 |
Intermediate Similarity | 0.8113 | NPC122493 |
Intermediate Similarity | 0.8113 | NPC10781 |
Intermediate Similarity | 0.8099 | NPC47667 |
Intermediate Similarity | 0.8095 | NPC161972 |
Intermediate Similarity | 0.8095 | NPC303045 |
Intermediate Similarity | 0.8073 | NPC471317 |
Intermediate Similarity | 0.8039 | NPC325441 |
Intermediate Similarity | 0.8037 | NPC322598 |
Intermediate Similarity | 0.8033 | NPC477937 |
Intermediate Similarity | 0.8019 | NPC25565 |
Intermediate Similarity | 0.8018 | NPC274089 |
Intermediate Similarity | 0.8018 | NPC191215 |
Intermediate Similarity | 0.8 | NPC160493 |
Intermediate Similarity | 0.7966 | NPC237420 |
Intermediate Similarity | 0.7951 | NPC4974 |
Intermediate Similarity | 0.7949 | NPC2265 |
Intermediate Similarity | 0.7944 | NPC473501 |
Intermediate Similarity | 0.7944 | NPC475439 |
Intermediate Similarity | 0.7944 | NPC311242 |
Intermediate Similarity | 0.7931 | NPC33742 |
Intermediate Similarity | 0.7928 | NPC67043 |
Intermediate Similarity | 0.7885 | NPC258627 |
Intermediate Similarity | 0.7881 | NPC470545 |
Intermediate Similarity | 0.7863 | NPC188010 |
Intermediate Similarity | 0.7845 | NPC35850 |
Intermediate Similarity | 0.7845 | NPC276949 |
Intermediate Similarity | 0.7833 | NPC45777 |
Intermediate Similarity | 0.7833 | NPC477061 |
Intermediate Similarity | 0.7815 | NPC470546 |
Intermediate Similarity | 0.781 | NPC226438 |
Intermediate Similarity | 0.7797 | NPC470544 |
Intermediate Similarity | 0.7736 | NPC323164 |
Intermediate Similarity | 0.7698 | NPC478147 |
Intermediate Similarity | 0.7656 | NPC244866 |
Intermediate Similarity | 0.7623 | NPC71684 |
Intermediate Similarity | 0.7619 | NPC296712 |
Intermediate Similarity | 0.7619 | NPC470877 |
Intermediate Similarity | 0.7603 | NPC319950 |
Intermediate Similarity | 0.7589 | NPC202613 |
Intermediate Similarity | 0.7568 | NPC136810 |
Intermediate Similarity | 0.7568 | NPC225079 |
Intermediate Similarity | 0.7568 | NPC128248 |
Intermediate Similarity | 0.7568 | NPC133809 |
Intermediate Similarity | 0.7559 | NPC325651 |
Intermediate Similarity | 0.7549 | NPC44830 |
Intermediate Similarity | 0.7547 | NPC471307 |
Intermediate Similarity | 0.7547 | NPC74936 |
Intermediate Similarity | 0.7547 | NPC70940 |
Intermediate Similarity | 0.7547 | NPC316108 |
Intermediate Similarity | 0.7547 | NPC209764 |
Intermediate Similarity | 0.7547 | NPC172128 |
Intermediate Similarity | 0.7547 | NPC159178 |
Intermediate Similarity | 0.7547 | NPC78041 |
Intermediate Similarity | 0.7547 | NPC141139 |
Intermediate Similarity | 0.7547 | NPC121872 |
Intermediate Similarity | 0.7547 | NPC86670 |
Intermediate Similarity | 0.7547 | NPC274455 |
Intermediate Similarity | 0.754 | NPC199738 |
Intermediate Similarity | 0.754 | NPC210950 |
Intermediate Similarity | 0.7522 | NPC194390 |
Intermediate Similarity | 0.7522 | NPC113326 |
Intermediate Similarity | 0.7522 | NPC88267 |
Intermediate Similarity | 0.7522 | NPC224610 |
Intermediate Similarity | 0.752 | NPC101719 |
Intermediate Similarity | 0.75 | NPC183722 |
Intermediate Similarity | 0.748 | NPC116057 |
Intermediate Similarity | 0.748 | NPC473322 |
Intermediate Similarity | 0.7458 | NPC273814 |
Intermediate Similarity | 0.7456 | NPC476198 |
Intermediate Similarity | 0.7442 | NPC326966 |
Intermediate Similarity | 0.744 | NPC222466 |
Intermediate Similarity | 0.7431 | NPC58674 |
Intermediate Similarity | 0.7429 | NPC322387 |
Intermediate Similarity | 0.7424 | NPC132636 |
Intermediate Similarity | 0.7411 | NPC264728 |
Intermediate Similarity | 0.7398 | NPC200964 |
Intermediate Similarity | 0.7388 | NPC161069 |
Intermediate Similarity | 0.7364 | NPC255447 |
Intermediate Similarity | 0.7355 | NPC315276 |
Intermediate Similarity | 0.7355 | NPC285926 |
Intermediate Similarity | 0.7355 | NPC14672 |
Intermediate Similarity | 0.7345 | NPC318154 |
Intermediate Similarity | 0.7344 | NPC472413 |
Intermediate Similarity | 0.7344 | NPC111428 |
Intermediate Similarity | 0.7339 | NPC471309 |
Intermediate Similarity | 0.7338 | NPC470274 |
Intermediate Similarity | 0.7333 | NPC471318 |
Intermediate Similarity | 0.7308 | NPC45191 |
Intermediate Similarity | 0.7304 | NPC211551 |
Intermediate Similarity | 0.7302 | NPC473938 |
Intermediate Similarity | 0.7297 | NPC226041 |
Intermediate Similarity | 0.7295 | NPC254088 |
Intermediate Similarity | 0.728 | NPC84281 |
Intermediate Similarity | 0.728 | NPC474862 |
Intermediate Similarity | 0.728 | NPC142577 |
Intermediate Similarity | 0.728 | NPC169485 |
Intermediate Similarity | 0.728 | NPC317474 |
Intermediate Similarity | 0.728 | NPC27581 |
Intermediate Similarity | 0.728 | NPC213126 |
Intermediate Similarity | 0.728 | NPC291027 |
Intermediate Similarity | 0.7273 | NPC314835 |
Intermediate Similarity | 0.7266 | NPC476353 |
Intermediate Similarity | 0.7264 | NPC471638 |
Intermediate Similarity | 0.7255 | NPC127343 |
Intermediate Similarity | 0.7241 | NPC94751 |
Intermediate Similarity | 0.7241 | NPC142326 |
Intermediate Similarity | 0.7232 | NPC120393 |
Intermediate Similarity | 0.7222 | NPC6975 |
Intermediate Similarity | 0.7222 | NPC472415 |
Intermediate Similarity | 0.7218 | NPC6913 |
Intermediate Similarity | 0.7207 | NPC3371 |
Intermediate Similarity | 0.7207 | NPC469893 |
Intermediate Similarity | 0.7196 | NPC12429 |
Intermediate Similarity | 0.7196 | NPC329064 |
Intermediate Similarity | 0.7185 | NPC263493 |
Intermediate Similarity | 0.7185 | NPC269398 |
Intermediate Similarity | 0.7174 | NPC138775 |
Intermediate Similarity | 0.7168 | NPC221825 |
Intermediate Similarity | 0.7156 | NPC245259 |
Intermediate Similarity | 0.7156 | NPC86987 |
Intermediate Similarity | 0.7154 | NPC200589 |
Intermediate Similarity | 0.7153 | NPC209509 |
Intermediate Similarity | 0.7143 | NPC313981 |
Intermediate Similarity | 0.7143 | NPC477767 |
Intermediate Similarity | 0.7143 | NPC469892 |
Intermediate Similarity | 0.7143 | NPC469891 |
Intermediate Similarity | 0.7143 | NPC469890 |
Intermediate Similarity | 0.7132 | NPC139326 |
Intermediate Similarity | 0.713 | NPC329556 |
Intermediate Similarity | 0.7121 | NPC470392 |
Intermediate Similarity | 0.712 | NPC476183 |
Intermediate Similarity | 0.7117 | NPC172925 |
Intermediate Similarity | 0.7109 | NPC472414 |
Intermediate Similarity | 0.7105 | NPC469457 |
Intermediate Similarity | 0.7101 | NPC314114 |
Intermediate Similarity | 0.7094 | NPC85560 |
Intermediate Similarity | 0.7094 | NPC244933 |
Intermediate Similarity | 0.7094 | NPC45033 |
Intermediate Similarity | 0.709 | NPC208725 |
Intermediate Similarity | 0.709 | NPC127741 |
Intermediate Similarity | 0.708 | NPC476978 |
Intermediate Similarity | 0.708 | NPC271475 |
Intermediate Similarity | 0.7073 | NPC239357 |
Intermediate Similarity | 0.7069 | NPC329282 |
Intermediate Similarity | 0.7068 | NPC64897 |
Intermediate Similarity | 0.7068 | NPC90693 |
Intermediate Similarity | 0.7063 | NPC476184 |
Intermediate Similarity | 0.7063 | NPC202521 |
Intermediate Similarity | 0.7063 | NPC476281 |
Intermediate Similarity | 0.7059 | NPC158854 |
Intermediate Similarity | 0.7059 | NPC239770 |
Intermediate Similarity | 0.7048 | NPC285773 |
Intermediate Similarity | 0.7045 | NPC42423 |
Intermediate Similarity | 0.7031 | NPC317758 |
Intermediate Similarity | 0.7029 | NPC5620 |
Intermediate Similarity | 0.7023 | NPC69496 |
Intermediate Similarity | 0.7009 | NPC203076 |
Intermediate Similarity | 0.7 | NPC475002 |
Intermediate Similarity | 0.7 | NPC95126 |
Intermediate Similarity | 0.7 | NPC105717 |
Remote Similarity | 0.6992 | NPC235421 |
Remote Similarity | 0.6991 | NPC33168 |
Remote Similarity | 0.6985 | NPC239762 |
Remote Similarity | 0.6985 | NPC163392 |
Remote Similarity | 0.6985 | NPC153007 |
Remote Similarity | 0.6984 | NPC476990 |
Remote Similarity | 0.6977 | NPC474926 |
Remote Similarity | 0.6963 | NPC6570 |
Remote Similarity | 0.6963 | NPC471265 |
Remote Similarity | 0.6963 | NPC471264 |
Remote Similarity | 0.6963 | NPC68865 |
Remote Similarity | 0.696 | NPC220698 |
Remote Similarity | 0.6953 | NPC175726 |
Remote Similarity | 0.6953 | NPC474082 |
Remote Similarity | 0.6953 | NPC476278 |
Remote Similarity | 0.6947 | NPC71271 |
Remote Similarity | 0.6935 | NPC188867 |
Remote Similarity | 0.6935 | NPC106551 |
Remote Similarity | 0.6935 | NPC281686 |
Remote Similarity | 0.6923 | NPC122590 |
Remote Similarity | 0.6923 | NPC472761 |
TTD   | |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | 6833 |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 317.20 |
ALogP   | 0.7284 |
MLogP   | 3.11 |
XLogP   | 6.561 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 10 |
TPSA   | 69.89 |
RO5 Violation   | 1 |