Drug ID:   | NPD1759 |
Drug Name:   | Salcaprozic Acid |
Molecular Formula:   | C15H21NO4 |
Canonical SMILES:   | OC(=O)CCCCCCCN=C(c1ccccc1O)O |
Standard InCHI:   | InChI=1S/C15H21NO4/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19) |
Standard InCHIKey:   | NJEKDCUDSORUJA-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 1 |
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 | 0.9018 | NPC227553 |
High Similarity | 0.8571 | NPC319950 |
Intermediate Similarity | 0.8362 | NPC163674 |
Intermediate Similarity | 0.8361 | NPC142577 |
Intermediate Similarity | 0.8361 | NPC27581 |
Intermediate Similarity | 0.832 | NPC476353 |
Intermediate Similarity | 0.8254 | NPC296712 |
Intermediate Similarity | 0.822 | NPC309808 |
Intermediate Similarity | 0.8211 | NPC474862 |
Intermediate Similarity | 0.8189 | NPC325651 |
Intermediate Similarity | 0.8189 | NPC478147 |
Intermediate Similarity | 0.8142 | NPC13426 |
Intermediate Similarity | 0.8103 | NPC153690 |
Intermediate Similarity | 0.8062 | NPC45191 |
Intermediate Similarity | 0.8036 | NPC245561 |
Intermediate Similarity | 0.8017 | NPC106551 |
Intermediate Similarity | 0.8017 | NPC281686 |
Intermediate Similarity | 0.8017 | NPC188867 |
Intermediate Similarity | 0.8 | NPC244866 |
Intermediate Similarity | 0.7965 | NPC52472 |
Intermediate Similarity | 0.7946 | NPC315921 |
Intermediate Similarity | 0.7931 | NPC231705 |
Intermediate Similarity | 0.7881 | NPC258056 |
Intermediate Similarity | 0.7863 | NPC142297 |
Intermediate Similarity | 0.7845 | NPC13495 |
Intermediate Similarity | 0.7826 | NPC178902 |
Intermediate Similarity | 0.7823 | NPC239697 |
Intermediate Similarity | 0.782 | NPC6913 |
Intermediate Similarity | 0.7815 | NPC474149 |
Intermediate Similarity | 0.7797 | NPC96224 |
Intermediate Similarity | 0.7797 | NPC24101 |
Intermediate Similarity | 0.7786 | NPC326966 |
Intermediate Similarity | 0.7768 | NPC3371 |
Intermediate Similarity | 0.7727 | NPC328070 |
Intermediate Similarity | 0.7647 | NPC31274 |
Intermediate Similarity | 0.7647 | NPC100551 |
Intermediate Similarity | 0.7642 | NPC317254 |
Intermediate Similarity | 0.7632 | NPC260000 |
Intermediate Similarity | 0.7627 | NPC317592 |
Intermediate Similarity | 0.7611 | NPC246679 |
Intermediate Similarity | 0.7603 | NPC228609 |
Intermediate Similarity | 0.76 | NPC5932 |
Intermediate Similarity | 0.76 | NPC142638 |
Intermediate Similarity | 0.76 | NPC317784 |
Intermediate Similarity | 0.7594 | NPC470392 |
Intermediate Similarity | 0.7586 | NPC318154 |
Intermediate Similarity | 0.7583 | NPC326187 |
Intermediate Similarity | 0.7565 | NPC280869 |
Intermediate Similarity | 0.7563 | NPC228737 |
Intermediate Similarity | 0.7561 | NPC118202 |
Intermediate Similarity | 0.7559 | NPC165197 |
Intermediate Similarity | 0.7559 | NPC56634 |
Intermediate Similarity | 0.7559 | NPC326079 |
Intermediate Similarity | 0.7557 | NPC477839 |
Intermediate Similarity | 0.7556 | NPC6570 |
Intermediate Similarity | 0.754 | NPC184579 |
Intermediate Similarity | 0.754 | NPC233165 |
Intermediate Similarity | 0.7521 | NPC222084 |
Intermediate Similarity | 0.752 | NPC311737 |
Intermediate Similarity | 0.752 | NPC125252 |
Intermediate Similarity | 0.752 | NPC38458 |
Intermediate Similarity | 0.75 | NPC473052 |
Intermediate Similarity | 0.75 | NPC25168 |
Intermediate Similarity | 0.75 | NPC473055 |
Intermediate Similarity | 0.748 | NPC223004 |
Intermediate Similarity | 0.748 | NPC211421 |
Intermediate Similarity | 0.7479 | NPC188677 |
Intermediate Similarity | 0.7479 | NPC70843 |
Intermediate Similarity | 0.7478 | NPC107619 |
Intermediate Similarity | 0.7464 | NPC91953 |
Intermediate Similarity | 0.7462 | NPC4974 |
Intermediate Similarity | 0.7458 | NPC8931 |
Intermediate Similarity | 0.7458 | NPC120693 |
Intermediate Similarity | 0.7458 | NPC261573 |
Intermediate Similarity | 0.7445 | NPC48202 |
Intermediate Similarity | 0.7445 | NPC471201 |
Intermediate Similarity | 0.7445 | NPC322526 |
Intermediate Similarity | 0.7442 | NPC297193 |
Intermediate Similarity | 0.744 | NPC82963 |
Intermediate Similarity | 0.744 | NPC128825 |
Intermediate Similarity | 0.7424 | NPC161593 |
Intermediate Similarity | 0.7424 | NPC145888 |
Intermediate Similarity | 0.7424 | NPC16031 |
Intermediate Similarity | 0.7422 | NPC292665 |
Intermediate Similarity | 0.7422 | NPC244994 |
Intermediate Similarity | 0.7422 | NPC284078 |
Intermediate Similarity | 0.7422 | NPC222876 |
Intermediate Similarity | 0.7422 | NPC159760 |
Intermediate Similarity | 0.7422 | NPC35856 |
Intermediate Similarity | 0.7422 | NPC272454 |
Intermediate Similarity | 0.7422 | NPC115188 |
Intermediate Similarity | 0.7422 | NPC301987 |
Intermediate Similarity | 0.7422 | NPC179092 |
Intermediate Similarity | 0.7422 | NPC26433 |
Intermediate Similarity | 0.7422 | NPC178395 |
Intermediate Similarity | 0.7419 | NPC197513 |
Intermediate Similarity | 0.7419 | NPC221870 |
Intermediate Similarity | 0.7417 | NPC141523 |
Intermediate Similarity | 0.7402 | NPC268572 |
Intermediate Similarity | 0.7402 | NPC328459 |
Intermediate Similarity | 0.7402 | NPC43275 |
Intermediate Similarity | 0.7402 | NPC283760 |
Intermediate Similarity | 0.7402 | NPC90522 |
Intermediate Similarity | 0.7402 | NPC472593 |
Intermediate Similarity | 0.7398 | NPC17693 |
Intermediate Similarity | 0.7398 | NPC48525 |
Intermediate Similarity | 0.7395 | NPC303141 |
Intermediate Similarity | 0.7391 | NPC197921 |
Intermediate Similarity | 0.7388 | NPC275538 |
Intermediate Similarity | 0.7381 | NPC160199 |
Intermediate Similarity | 0.7373 | NPC470202 |
Intermediate Similarity | 0.7364 | NPC198336 |
Intermediate Similarity | 0.7364 | NPC155393 |
Intermediate Similarity | 0.7357 | NPC106183 |
Intermediate Similarity | 0.7355 | NPC224584 |
Intermediate Similarity | 0.735 | NPC155847 |
Intermediate Similarity | 0.735 | NPC289381 |
Intermediate Similarity | 0.7348 | NPC210950 |
Intermediate Similarity | 0.7348 | NPC199738 |
Intermediate Similarity | 0.7344 | NPC72977 |
Intermediate Similarity | 0.7344 | NPC474874 |
Intermediate Similarity | 0.7344 | NPC190663 |
Intermediate Similarity | 0.7339 | NPC148969 |
Intermediate Similarity | 0.7338 | NPC469360 |
Intermediate Similarity | 0.7333 | NPC69332 |
Intermediate Similarity | 0.7333 | NPC95178 |
Intermediate Similarity | 0.7333 | NPC29989 |
Intermediate Similarity | 0.7328 | NPC117794 |
Intermediate Similarity | 0.7323 | NPC273282 |
Intermediate Similarity | 0.7323 | NPC161943 |
Intermediate Similarity | 0.7323 | NPC94637 |
Intermediate Similarity | 0.7323 | NPC474890 |
Intermediate Similarity | 0.7323 | NPC122009 |
Intermediate Similarity | 0.7311 | NPC93831 |
Intermediate Similarity | 0.7308 | NPC283514 |
Intermediate Similarity | 0.7308 | NPC244351 |
Intermediate Similarity | 0.7305 | NPC323798 |
Intermediate Similarity | 0.7302 | NPC312800 |
Intermediate Similarity | 0.7297 | NPC307235 |
Intermediate Similarity | 0.7297 | NPC407 |
Intermediate Similarity | 0.7295 | NPC316052 |
Intermediate Similarity | 0.7295 | NPC88141 |
Intermediate Similarity | 0.7287 | NPC164852 |
Intermediate Similarity | 0.7286 | NPC13696 |
Intermediate Similarity | 0.728 | NPC142599 |
Intermediate Similarity | 0.728 | NPC276111 |
Intermediate Similarity | 0.728 | NPC114918 |
Intermediate Similarity | 0.728 | NPC118288 |
Intermediate Similarity | 0.7279 | NPC105541 |
Intermediate Similarity | 0.7273 | NPC167055 |
Intermediate Similarity | 0.7273 | NPC472592 |
Intermediate Similarity | 0.7273 | NPC240744 |
Intermediate Similarity | 0.7265 | NPC12730 |
Intermediate Similarity | 0.7265 | NPC125732 |
Intermediate Similarity | 0.7258 | NPC286222 |
Intermediate Similarity | 0.7257 | NPC47950 |
Intermediate Similarity | 0.725 | NPC243677 |
Intermediate Similarity | 0.7246 | NPC313694 |
Intermediate Similarity | 0.7246 | NPC242159 |
Intermediate Similarity | 0.7244 | NPC121259 |
Intermediate Similarity | 0.7244 | NPC283468 |
Intermediate Similarity | 0.7244 | NPC76308 |
Intermediate Similarity | 0.7244 | NPC325295 |
Intermediate Similarity | 0.7241 | NPC33168 |
Intermediate Similarity | 0.7231 | NPC160493 |
Intermediate Similarity | 0.7227 | NPC68055 |
Intermediate Similarity | 0.7222 | NPC4665 |
Intermediate Similarity | 0.7218 | NPC321561 |
Intermediate Similarity | 0.7218 | NPC305717 |
Intermediate Similarity | 0.7217 | NPC32977 |
Intermediate Similarity | 0.7217 | NPC81010 |
Intermediate Similarity | 0.7214 | NPC33011 |
Intermediate Similarity | 0.7213 | NPC317305 |
Intermediate Similarity | 0.7209 | NPC112823 |
Intermediate Similarity | 0.7209 | NPC233282 |
Intermediate Similarity | 0.7209 | NPC80150 |
Intermediate Similarity | 0.7207 | NPC198747 |
Intermediate Similarity | 0.7206 | NPC88667 |
Intermediate Similarity | 0.72 | NPC190212 |
Intermediate Similarity | 0.72 | NPC242136 |
Intermediate Similarity | 0.72 | NPC475983 |
Intermediate Similarity | 0.7193 | NPC265521 |
Intermediate Similarity | 0.719 | NPC187913 |
Intermediate Similarity | 0.7188 | NPC104514 |
Intermediate Similarity | 0.7188 | NPC241089 |
Intermediate Similarity | 0.7177 | NPC177576 |
Intermediate Similarity | 0.7176 | NPC477151 |
Intermediate Similarity | 0.7176 | NPC132518 |
Intermediate Similarity | 0.7168 | NPC258627 |
Intermediate Similarity | 0.7165 | NPC83718 |
Intermediate Similarity | 0.7165 | NPC471924 |
Intermediate Similarity | 0.7165 | NPC128249 |
Intermediate Similarity | 0.7165 | NPC471928 |
Intermediate Similarity | 0.7165 | NPC471925 |
Intermediate Similarity | 0.7155 | NPC257182 |
Intermediate Similarity | 0.7154 | NPC241001 |
Intermediate Similarity | 0.7154 | NPC473051 |
Intermediate Similarity | 0.7154 | NPC471954 |
Intermediate Similarity | 0.7154 | NPC95172 |
Intermediate Similarity | 0.7154 | NPC324702 |
Molecular Weight   | 279.15 |
ALogP   | -2.3995 |
MLogP   | 2.56 |
XLogP   | 3.67 |
HDA   | 4 |
HBD   | 3 |
Rotatable Bonds   | 12 |
TPSA   | 90.12 |
RO5 Violation   | 0 |