Drug ID:   | NPD633 |
Drug Name:   | Undecanoate |
Molecular Formula:   | C11H22O2 |
Canonical SMILES:   | CCCCCCCCCCC(=O)O |
Standard InCHI:   | InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13) |
Standard InCHIKey:   | ZDPHROOEEOARMN-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 3 |
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 | 1.0 | NPC113928 |
High Similarity | 1.0 | NPC154186 |
High Similarity | 1.0 | NPC301585 |
High Similarity | 1.0 | NPC301696 |
High Similarity | 1.0 | NPC201844 |
High Similarity | 1.0 | NPC14227 |
High Similarity | 1.0 | NPC261080 |
High Similarity | 1.0 | NPC279026 |
High Similarity | 0.9474 | NPC171736 |
High Similarity | 0.9474 | NPC216630 |
High Similarity | 0.9474 | NPC307783 |
High Similarity | 0.9474 | NPC209970 |
High Similarity | 0.9474 | NPC149184 |
High Similarity | 0.9474 | NPC196924 |
High Similarity | 0.9459 | NPC183424 |
High Similarity | 0.9459 | NPC294085 |
High Similarity | 0.9459 | NPC118968 |
High Similarity | 0.9459 | NPC214610 |
High Similarity | 0.9231 | NPC67462 |
High Similarity | 0.9189 | NPC268826 |
High Similarity | 0.9167 | NPC155263 |
High Similarity | 0.9 | NPC19305 |
High Similarity | 0.9 | NPC74845 |
High Similarity | 0.9 | NPC255837 |
High Similarity | 0.8889 | NPC156630 |
High Similarity | 0.878 | NPC55023 |
High Similarity | 0.878 | NPC8219 |
High Similarity | 0.8684 | NPC22903 |
High Similarity | 0.8684 | NPC305660 |
High Similarity | 0.8684 | NPC54980 |
High Similarity | 0.8684 | NPC201622 |
High Similarity | 0.8649 | NPC134782 |
High Similarity | 0.8571 | NPC314679 |
High Similarity | 0.8571 | NPC30195 |
High Similarity | 0.8571 | NPC12438 |
High Similarity | 0.85 | NPC163746 |
High Similarity | 0.85 | NPC103286 |
Intermediate Similarity | 0.8462 | NPC31551 |
Intermediate Similarity | 0.8462 | NPC219536 |
Intermediate Similarity | 0.8372 | NPC324004 |
Intermediate Similarity | 0.8372 | NPC328497 |
Intermediate Similarity | 0.8372 | NPC21844 |
Intermediate Similarity | 0.8333 | NPC175342 |
Intermediate Similarity | 0.8293 | NPC301528 |
Intermediate Similarity | 0.8293 | NPC129972 |
Intermediate Similarity | 0.8293 | NPC71317 |
Intermediate Similarity | 0.825 | NPC12156 |
Intermediate Similarity | 0.825 | NPC250028 |
Intermediate Similarity | 0.825 | NPC161097 |
Intermediate Similarity | 0.825 | NPC28598 |
Intermediate Similarity | 0.825 | NPC149299 |
Intermediate Similarity | 0.825 | NPC256163 |
Intermediate Similarity | 0.825 | NPC40597 |
Intermediate Similarity | 0.8205 | NPC73245 |
Intermediate Similarity | 0.8182 | NPC131770 |
Intermediate Similarity | 0.8182 | NPC324793 |
Intermediate Similarity | 0.8182 | NPC477878 |
Intermediate Similarity | 0.8182 | NPC200618 |
Intermediate Similarity | 0.8182 | NPC106872 |
Intermediate Similarity | 0.8049 | NPC325452 |
Intermediate Similarity | 0.8049 | NPC53541 |
Intermediate Similarity | 0.8049 | NPC248763 |
Intermediate Similarity | 0.8 | NPC223249 |
Intermediate Similarity | 0.8 | NPC304162 |
Intermediate Similarity | 0.8 | NPC80234 |
Intermediate Similarity | 0.7857 | NPC203531 |
Intermediate Similarity | 0.7857 | NPC236579 |
Intermediate Similarity | 0.7857 | NPC289686 |
Intermediate Similarity | 0.7838 | NPC328710 |
Intermediate Similarity | 0.7838 | NPC18224 |
Intermediate Similarity | 0.7826 | NPC90904 |
Intermediate Similarity | 0.7805 | NPC165533 |
Intermediate Similarity | 0.7778 | NPC180534 |
Intermediate Similarity | 0.7727 | NPC166287 |
Intermediate Similarity | 0.7674 | NPC76051 |
Intermediate Similarity | 0.7674 | NPC317128 |
Intermediate Similarity | 0.766 | NPC470412 |
Intermediate Similarity | 0.766 | NPC470410 |
Intermediate Similarity | 0.7609 | NPC26253 |
Intermediate Similarity | 0.7561 | NPC3531 |
Intermediate Similarity | 0.75 | NPC109026 |
Intermediate Similarity | 0.75 | NPC252843 |
Intermediate Similarity | 0.75 | NPC287231 |
Intermediate Similarity | 0.75 | NPC47363 |
Intermediate Similarity | 0.75 | NPC174368 |
Intermediate Similarity | 0.75 | NPC158179 |
Intermediate Similarity | 0.75 | NPC469781 |
Intermediate Similarity | 0.75 | NPC281245 |
Intermediate Similarity | 0.7447 | NPC50457 |
Intermediate Similarity | 0.7436 | NPC317203 |
Intermediate Similarity | 0.7347 | NPC36061 |
Intermediate Similarity | 0.7347 | NPC72722 |
Intermediate Similarity | 0.7347 | NPC1813 |
Intermediate Similarity | 0.7347 | NPC294548 |
Intermediate Similarity | 0.7347 | NPC139029 |
Intermediate Similarity | 0.7333 | NPC63182 |
Intermediate Similarity | 0.7333 | NPC52700 |
Intermediate Similarity | 0.7333 | NPC105329 |
Intermediate Similarity | 0.7333 | NPC145045 |
Intermediate Similarity | 0.7317 | NPC326532 |
Intermediate Similarity | 0.7292 | NPC100096 |
Intermediate Similarity | 0.725 | NPC80641 |
Intermediate Similarity | 0.725 | NPC154642 |
Intermediate Similarity | 0.725 | NPC80396 |
Intermediate Similarity | 0.72 | NPC290563 |
Intermediate Similarity | 0.72 | NPC281972 |
Intermediate Similarity | 0.72 | NPC85813 |
Intermediate Similarity | 0.72 | NPC424 |
Intermediate Similarity | 0.72 | NPC6095 |
Intermediate Similarity | 0.72 | NPC25417 |
Intermediate Similarity | 0.72 | NPC23155 |
Intermediate Similarity | 0.72 | NPC320588 |
Intermediate Similarity | 0.72 | NPC32467 |
Intermediate Similarity | 0.72 | NPC154245 |
Intermediate Similarity | 0.72 | NPC87394 |
Intermediate Similarity | 0.72 | NPC88966 |
Intermediate Similarity | 0.72 | NPC87564 |
Intermediate Similarity | 0.72 | NPC469937 |
Intermediate Similarity | 0.72 | NPC261831 |
Intermediate Similarity | 0.72 | NPC53463 |
Intermediate Similarity | 0.7179 | NPC57499 |
Intermediate Similarity | 0.7174 | NPC326957 |
Intermediate Similarity | 0.7143 | NPC18357 |
Intermediate Similarity | 0.7111 | NPC273545 |
Intermediate Similarity | 0.7021 | NPC216130 |
Intermediate Similarity | 0.7 | NPC301398 |
Intermediate Similarity | 0.7 | NPC70387 |
Intermediate Similarity | 0.7 | NPC196442 |
Intermediate Similarity | 0.7 | NPC223374 |
Intermediate Similarity | 0.7 | NPC321062 |
Intermediate Similarity | 0.7 | NPC86545 |
Remote Similarity | 0.6923 | NPC187777 |
Remote Similarity | 0.6923 | NPC18951 |
Remote Similarity | 0.6923 | NPC477201 |
Remote Similarity | 0.6923 | NPC179764 |
Remote Similarity | 0.6875 | NPC476469 |
Remote Similarity | 0.6842 | NPC168982 |
Remote Similarity | 0.68 | NPC92114 |
Remote Similarity | 0.6792 | NPC225929 |
Remote Similarity | 0.675 | NPC127142 |
Remote Similarity | 0.675 | NPC286498 |
Remote Similarity | 0.675 | NPC7814 |
Remote Similarity | 0.675 | NPC154396 |
Remote Similarity | 0.6744 | NPC81263 |
Remote Similarity | 0.6735 | NPC55678 |
Remote Similarity | 0.6735 | NPC305182 |
Remote Similarity | 0.6735 | NPC224227 |
Remote Similarity | 0.6731 | NPC274290 |
Remote Similarity | 0.6731 | NPC473863 |
Remote Similarity | 0.6731 | NPC54766 |
Remote Similarity | 0.6667 | NPC176500 |
Remote Similarity | 0.6667 | NPC149209 |
Remote Similarity | 0.6667 | NPC128996 |
Remote Similarity | 0.66 | NPC262968 |
Remote Similarity | 0.66 | NPC314084 |
Remote Similarity | 0.66 | NPC287811 |
Remote Similarity | 0.6579 | NPC153439 |
Remote Similarity | 0.6579 | NPC221192 |
Remote Similarity | 0.6579 | NPC79887 |
Remote Similarity | 0.6579 | NPC29561 |
Remote Similarity | 0.6579 | NPC196434 |
Remote Similarity | 0.6579 | NPC4962 |
Remote Similarity | 0.6579 | NPC222997 |
Remote Similarity | 0.6579 | NPC42403 |
Remote Similarity | 0.6545 | NPC475821 |
Remote Similarity | 0.6545 | NPC274927 |
Remote Similarity | 0.6545 | NPC470363 |
Remote Similarity | 0.6545 | NPC17935 |
Remote Similarity | 0.6545 | NPC469924 |
Remote Similarity | 0.6545 | NPC106851 |
Remote Similarity | 0.6531 | NPC149821 |
Remote Similarity | 0.6531 | NPC250919 |
Remote Similarity | 0.6531 | NPC5413 |
Remote Similarity | 0.65 | NPC125575 |
Remote Similarity | 0.65 | NPC322892 |
Remote Similarity | 0.65 | NPC286695 |
Remote Similarity | 0.6471 | NPC161366 |
Remote Similarity | 0.6471 | NPC310746 |
Remote Similarity | 0.6458 | NPC249754 |
Remote Similarity | 0.6429 | NPC243532 |
Remote Similarity | 0.6429 | NPC251042 |
Remote Similarity | 0.6429 | NPC235242 |
Remote Similarity | 0.6429 | NPC469921 |
Remote Similarity | 0.6429 | NPC174447 |
Remote Similarity | 0.6429 | NPC122521 |
Remote Similarity | 0.641 | NPC236797 |
Remote Similarity | 0.641 | NPC147096 |
Remote Similarity | 0.641 | NPC24506 |
Remote Similarity | 0.641 | NPC185041 |
Remote Similarity | 0.641 | NPC225783 |
Remote Similarity | 0.641 | NPC112242 |
Remote Similarity | 0.641 | NPC163556 |
Remote Similarity | 0.64 | NPC59051 |
Remote Similarity | 0.6364 | NPC34416 |
Remote Similarity | 0.6346 | NPC309606 |
Remote Similarity | 0.6346 | NPC139545 |
Remote Similarity | 0.6346 | NPC39633 |
Remote Similarity | 0.6327 | NPC207292 |
Remote Similarity | 0.6316 | NPC38859 |
Remote Similarity | 0.6316 | NPC40082 |
Molecular Weight   | 186.16 |
ALogP   | -2.4577 |
MLogP   | 2.45 |
XLogP   | 4.725 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 11 |
TPSA   | 37.3 |
RO5 Violation   | 0 |