Drug ID:   | NPD3199 |
Drug Name:   | |
Molecular Formula:   | C18H35IO2 |
Canonical SMILES:   | CCCCCCCCCC(CCCCCCCC(=O)O)I |
Standard InCHI:   | InChI=1S/C18H35IO2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h17H,2-16H2,1H3,(H,20,21) |
Standard InCHIKey:   | QLENVUBDLCZSPR-UHFFFAOYSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
Max Developmental Stage Source:   | TTD |
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 | 0.9268 | NPC196924 |
High Similarity | 0.9268 | NPC307783 |
High Similarity | 0.9268 | NPC149184 |
High Similarity | 0.9268 | NPC216630 |
High Similarity | 0.9268 | NPC171736 |
High Similarity | 0.9268 | NPC209970 |
High Similarity | 0.9048 | NPC67462 |
High Similarity | 0.8837 | NPC74845 |
High Similarity | 0.878 | NPC113928 |
High Similarity | 0.878 | NPC279026 |
High Similarity | 0.878 | NPC301585 |
High Similarity | 0.878 | NPC14227 |
High Similarity | 0.878 | NPC201844 |
High Similarity | 0.878 | NPC261080 |
High Similarity | 0.878 | NPC154186 |
High Similarity | 0.878 | NPC301696 |
High Similarity | 0.8636 | NPC8219 |
Intermediate Similarity | 0.8444 | NPC30195 |
Intermediate Similarity | 0.8444 | NPC12438 |
Intermediate Similarity | 0.8409 | NPC19305 |
Intermediate Similarity | 0.8409 | NPC255837 |
Intermediate Similarity | 0.8333 | NPC118968 |
Intermediate Similarity | 0.8333 | NPC214610 |
Intermediate Similarity | 0.8333 | NPC294085 |
Intermediate Similarity | 0.8333 | NPC183424 |
Intermediate Similarity | 0.8261 | NPC328497 |
Intermediate Similarity | 0.8261 | NPC324004 |
Intermediate Similarity | 0.8261 | NPC21844 |
Intermediate Similarity | 0.8182 | NPC71317 |
Intermediate Similarity | 0.8182 | NPC129972 |
Intermediate Similarity | 0.8182 | NPC301528 |
Intermediate Similarity | 0.814 | NPC161097 |
Intermediate Similarity | 0.814 | NPC12156 |
Intermediate Similarity | 0.814 | NPC28598 |
Intermediate Similarity | 0.8095 | NPC268826 |
Intermediate Similarity | 0.8085 | NPC477878 |
Intermediate Similarity | 0.8085 | NPC106872 |
Intermediate Similarity | 0.8085 | NPC324793 |
Intermediate Similarity | 0.8049 | NPC155263 |
Intermediate Similarity | 0.7955 | NPC163746 |
Intermediate Similarity | 0.7955 | NPC103286 |
Intermediate Similarity | 0.7826 | NPC55023 |
Intermediate Similarity | 0.7805 | NPC156630 |
Intermediate Similarity | 0.7778 | NPC236579 |
Intermediate Similarity | 0.7778 | NPC203531 |
Intermediate Similarity | 0.7755 | NPC90904 |
Intermediate Similarity | 0.7674 | NPC22903 |
Intermediate Similarity | 0.7674 | NPC201622 |
Intermediate Similarity | 0.7674 | NPC305660 |
Intermediate Similarity | 0.7674 | NPC54980 |
Intermediate Similarity | 0.766 | NPC314679 |
Intermediate Similarity | 0.7619 | NPC134782 |
Intermediate Similarity | 0.7609 | NPC317128 |
Intermediate Similarity | 0.7551 | NPC304162 |
Intermediate Similarity | 0.7551 | NPC26253 |
Intermediate Similarity | 0.75 | NPC31551 |
Intermediate Similarity | 0.75 | NPC219536 |
Intermediate Similarity | 0.7447 | NPC469781 |
Intermediate Similarity | 0.7447 | NPC47363 |
Intermediate Similarity | 0.7447 | NPC287231 |
Intermediate Similarity | 0.7347 | NPC131770 |
Intermediate Similarity | 0.7347 | NPC200618 |
Intermediate Similarity | 0.7333 | NPC165533 |
Intermediate Similarity | 0.7333 | NPC250028 |
Intermediate Similarity | 0.7333 | NPC256163 |
Intermediate Similarity | 0.7333 | NPC149299 |
Intermediate Similarity | 0.7333 | NPC40597 |
Intermediate Similarity | 0.7317 | NPC175342 |
Intermediate Similarity | 0.7308 | NPC72722 |
Intermediate Similarity | 0.7273 | NPC73245 |
Intermediate Similarity | 0.7255 | NPC470412 |
Intermediate Similarity | 0.7255 | NPC470410 |
Intermediate Similarity | 0.7174 | NPC53541 |
Intermediate Similarity | 0.7174 | NPC325452 |
Intermediate Similarity | 0.7174 | NPC248763 |
Intermediate Similarity | 0.717 | NPC53463 |
Intermediate Similarity | 0.717 | NPC87564 |
Intermediate Similarity | 0.717 | NPC85813 |
Intermediate Similarity | 0.717 | NPC87394 |
Intermediate Similarity | 0.717 | NPC469937 |
Intermediate Similarity | 0.717 | NPC25417 |
Intermediate Similarity | 0.717 | NPC154245 |
Intermediate Similarity | 0.717 | NPC261831 |
Intermediate Similarity | 0.717 | NPC281972 |
Intermediate Similarity | 0.717 | NPC88966 |
Intermediate Similarity | 0.717 | NPC6095 |
Intermediate Similarity | 0.717 | NPC32467 |
Intermediate Similarity | 0.717 | NPC320588 |
Intermediate Similarity | 0.717 | NPC424 |
Intermediate Similarity | 0.717 | NPC23155 |
Intermediate Similarity | 0.717 | NPC290563 |
Intermediate Similarity | 0.7111 | NPC223249 |
Intermediate Similarity | 0.7111 | NPC80234 |
Intermediate Similarity | 0.7045 | NPC158179 |
Intermediate Similarity | 0.7021 | NPC289686 |
Intermediate Similarity | 0.7 | NPC180534 |
Remote Similarity | 0.6981 | NPC1813 |
Remote Similarity | 0.6981 | NPC294548 |
Remote Similarity | 0.6981 | NPC139029 |
Remote Similarity | 0.6981 | NPC70387 |
Remote Similarity | 0.6981 | NPC321062 |
Remote Similarity | 0.6981 | NPC36061 |
Remote Similarity | 0.6939 | NPC166287 |
Remote Similarity | 0.6923 | NPC100096 |
Remote Similarity | 0.6909 | NPC18951 |
Remote Similarity | 0.6909 | NPC477201 |
Remote Similarity | 0.6905 | NPC18224 |
Remote Similarity | 0.6905 | NPC328710 |
Remote Similarity | 0.6875 | NPC76051 |
Remote Similarity | 0.6792 | NPC92114 |
Remote Similarity | 0.6792 | NPC18357 |
Remote Similarity | 0.6792 | NPC281245 |
Remote Similarity | 0.6739 | NPC3531 |
Remote Similarity | 0.6731 | NPC50457 |
Remote Similarity | 0.6731 | NPC55678 |
Remote Similarity | 0.6667 | NPC109026 |
Remote Similarity | 0.6667 | NPC252843 |
Remote Similarity | 0.6667 | NPC128996 |
Remote Similarity | 0.6607 | NPC187777 |
Remote Similarity | 0.6607 | NPC179764 |
Remote Similarity | 0.6604 | NPC262968 |
Remote Similarity | 0.6604 | NPC287811 |
Remote Similarity | 0.66 | NPC145045 |
Remote Similarity | 0.66 | NPC105329 |
Remote Similarity | 0.66 | NPC52700 |
Remote Similarity | 0.66 | NPC63182 |
Remote Similarity | 0.6591 | NPC317203 |
Remote Similarity | 0.6585 | NPC174368 |
Remote Similarity | 0.6552 | NPC106851 |
Remote Similarity | 0.6552 | NPC469924 |
Remote Similarity | 0.6552 | NPC274927 |
Remote Similarity | 0.6552 | NPC470363 |
Remote Similarity | 0.6522 | NPC326532 |
Remote Similarity | 0.6491 | NPC225929 |
Remote Similarity | 0.6481 | NPC310746 |
Remote Similarity | 0.6471 | NPC326957 |
Remote Similarity | 0.6471 | NPC249754 |
Remote Similarity | 0.6444 | NPC80396 |
Remote Similarity | 0.6444 | NPC80641 |
Remote Similarity | 0.6444 | NPC154642 |
Remote Similarity | 0.6441 | NPC243532 |
Remote Similarity | 0.6429 | NPC274290 |
Remote Similarity | 0.6429 | NPC473863 |
Remote Similarity | 0.6429 | NPC54766 |
Remote Similarity | 0.6415 | NPC224227 |
Remote Similarity | 0.6415 | NPC59051 |
Remote Similarity | 0.64 | NPC273545 |
Remote Similarity | 0.6364 | NPC57499 |
Remote Similarity | 0.6364 | NPC39633 |
Remote Similarity | 0.6364 | NPC309606 |
Remote Similarity | 0.6364 | NPC139545 |
Remote Similarity | 0.6346 | NPC216130 |
Remote Similarity | 0.6333 | NPC469923 |
Remote Similarity | 0.6333 | NPC201939 |
Remote Similarity | 0.6304 | NPC74352 |
Remote Similarity | 0.6279 | NPC149101 |
Remote Similarity | 0.6279 | NPC76608 |
Remote Similarity | 0.6279 | NPC16578 |
Remote Similarity | 0.6279 | NPC225318 |
Remote Similarity | 0.6275 | NPC308301 |
Remote Similarity | 0.623 | NPC235788 |
Remote Similarity | 0.623 | NPC474552 |
Remote Similarity | 0.6226 | NPC5413 |
Remote Similarity | 0.6226 | NPC149821 |
Remote Similarity | 0.6226 | NPC476469 |
Remote Similarity | 0.6222 | NPC86545 |
Remote Similarity | 0.6222 | NPC223374 |
Remote Similarity | 0.6222 | NPC196442 |
Remote Similarity | 0.6222 | NPC301398 |
Remote Similarity | 0.6182 | NPC161366 |
Remote Similarity | 0.6167 | NPC174447 |
Remote Similarity | 0.6167 | NPC251042 |
Remote Similarity | 0.6167 | NPC235242 |
Remote Similarity | 0.6167 | NPC122521 |
Remote Similarity | 0.6167 | NPC469921 |
Remote Similarity | 0.614 | NPC10316 |
Remote Similarity | 0.614 | NPC228473 |
Remote Similarity | 0.614 | NPC223677 |
Remote Similarity | 0.614 | NPC128061 |
Remote Similarity | 0.614 | NPC200845 |
Remote Similarity | 0.614 | NPC28779 |
Remote Similarity | 0.6136 | NPC205141 |
Remote Similarity | 0.6136 | NPC185538 |
Remote Similarity | 0.6136 | NPC139131 |
Remote Similarity | 0.6136 | NPC291158 |
Remote Similarity | 0.6136 | NPC181516 |
Remote Similarity | 0.6136 | NPC152759 |
Remote Similarity | 0.6136 | NPC12231 |
Remote Similarity | 0.6136 | NPC272998 |
Remote Similarity | 0.6129 | NPC328089 |
Remote Similarity | 0.6129 | NPC314103 |
Remote Similarity | 0.6129 | NPC68343 |
Remote Similarity | 0.6111 | NPC305182 |
Remote Similarity | 0.6111 | NPC319110 |
Remote Similarity | 0.6111 | NPC329181 |
Remote Similarity | 0.6087 | NPC474914 |
Remote Similarity | 0.6087 | NPC474392 |
Remote Similarity | 0.6066 | NPC174560 |
Remote Similarity | 0.6066 | NPC40082 |
Remote Similarity | 0.6066 | NPC125312 |
Molecular Weight   | 410.17 |
ALogP   | -2.816 |
MLogP   | 3.11 |
XLogP   | 8.472 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 19 |
TPSA   | 37.3 |
RO5 Violation   | 2 |