Drug ID:   | NPD634 |
Drug Name:   | ONO-2506 |
Molecular Formula:   | C11H22O2 |
Canonical SMILES:   | CCCCCC[C@H](C(=O)O)CCC |
Standard InCHI:   | InChI=1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1 |
Standard InCHIKey:   | YCYMCMYLORLIJX-SNVBAGLBSA-N |
Max Developmental Stage:   | Phase 3 |
Max Developmental Stage Source:   | DrugBank |
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 | NPC314679 |
High Similarity | 0.9762 | NPC55023 |
High Similarity | 0.9545 | NPC477878 |
High Similarity | 0.9545 | NPC324793 |
High Similarity | 0.9318 | NPC21844 |
High Similarity | 0.9048 | NPC248763 |
High Similarity | 0.9048 | NPC325452 |
High Similarity | 0.8571 | NPC301585 |
High Similarity | 0.8571 | NPC14227 |
High Similarity | 0.8571 | NPC113928 |
High Similarity | 0.8571 | NPC261080 |
High Similarity | 0.8571 | NPC154186 |
High Similarity | 0.8571 | NPC3531 |
High Similarity | 0.8571 | NPC72722 |
High Similarity | 0.8571 | NPC301696 |
High Similarity | 0.8571 | NPC279026 |
High Similarity | 0.8571 | NPC201844 |
Intermediate Similarity | 0.8182 | NPC307783 |
Intermediate Similarity | 0.8182 | NPC196924 |
Intermediate Similarity | 0.8182 | NPC216630 |
Intermediate Similarity | 0.8182 | NPC171736 |
Intermediate Similarity | 0.8182 | NPC149184 |
Intermediate Similarity | 0.8182 | NPC209970 |
Intermediate Similarity | 0.814 | NPC214610 |
Intermediate Similarity | 0.814 | NPC118968 |
Intermediate Similarity | 0.814 | NPC183424 |
Intermediate Similarity | 0.814 | NPC294085 |
Intermediate Similarity | 0.8095 | NPC252843 |
Intermediate Similarity | 0.8 | NPC67462 |
Intermediate Similarity | 0.7959 | NPC305182 |
Intermediate Similarity | 0.7907 | NPC268826 |
Intermediate Similarity | 0.7857 | NPC155263 |
Intermediate Similarity | 0.7826 | NPC19305 |
Intermediate Similarity | 0.7826 | NPC74845 |
Intermediate Similarity | 0.7826 | NPC255837 |
Intermediate Similarity | 0.766 | NPC8219 |
Intermediate Similarity | 0.7636 | NPC475821 |
Intermediate Similarity | 0.7619 | NPC156630 |
Intermediate Similarity | 0.75 | NPC305660 |
Intermediate Similarity | 0.75 | NPC22903 |
Intermediate Similarity | 0.75 | NPC201622 |
Intermediate Similarity | 0.75 | NPC12438 |
Intermediate Similarity | 0.75 | NPC54980 |
Intermediate Similarity | 0.75 | NPC30195 |
Intermediate Similarity | 0.7451 | NPC314084 |
Intermediate Similarity | 0.7442 | NPC134782 |
Intermediate Similarity | 0.74 | NPC476469 |
Intermediate Similarity | 0.7391 | NPC103286 |
Intermediate Similarity | 0.7391 | NPC163746 |
Intermediate Similarity | 0.7358 | NPC319589 |
Intermediate Similarity | 0.7347 | NPC328497 |
Intermediate Similarity | 0.7347 | NPC249754 |
Intermediate Similarity | 0.7347 | NPC324004 |
Intermediate Similarity | 0.7333 | NPC31551 |
Intermediate Similarity | 0.7333 | NPC219536 |
Intermediate Similarity | 0.7321 | NPC470363 |
Intermediate Similarity | 0.7321 | NPC469924 |
Intermediate Similarity | 0.7241 | NPC474552 |
Intermediate Similarity | 0.7234 | NPC301528 |
Intermediate Similarity | 0.7234 | NPC71317 |
Intermediate Similarity | 0.7234 | NPC129972 |
Intermediate Similarity | 0.72 | NPC131770 |
Intermediate Similarity | 0.72 | NPC106872 |
Intermediate Similarity | 0.72 | NPC13105 |
Intermediate Similarity | 0.72 | NPC200618 |
Intermediate Similarity | 0.7193 | NPC469921 |
Intermediate Similarity | 0.7174 | NPC256163 |
Intermediate Similarity | 0.7174 | NPC12156 |
Intermediate Similarity | 0.7174 | NPC149299 |
Intermediate Similarity | 0.7174 | NPC250028 |
Intermediate Similarity | 0.7174 | NPC28598 |
Intermediate Similarity | 0.7174 | NPC161097 |
Intermediate Similarity | 0.7174 | NPC40597 |
Intermediate Similarity | 0.7143 | NPC308301 |
Intermediate Similarity | 0.7143 | NPC175342 |
Intermediate Similarity | 0.7143 | NPC282440 |
Intermediate Similarity | 0.7119 | NPC470325 |
Intermediate Similarity | 0.7119 | NPC234767 |
Intermediate Similarity | 0.7119 | NPC53642 |
Intermediate Similarity | 0.7111 | NPC73245 |
Intermediate Similarity | 0.7083 | NPC317128 |
Intermediate Similarity | 0.7069 | NPC469923 |
Intermediate Similarity | 0.7069 | NPC174560 |
Intermediate Similarity | 0.7069 | NPC125312 |
Intermediate Similarity | 0.7059 | NPC304162 |
Intermediate Similarity | 0.7021 | NPC53541 |
Intermediate Similarity | 0.7 | NPC476330 |
Intermediate Similarity | 0.7 | NPC469791 |
Intermediate Similarity | 0.7 | NPC19311 |
Intermediate Similarity | 0.7 | NPC230047 |
Remote Similarity | 0.6957 | NPC80234 |
Remote Similarity | 0.6957 | NPC223249 |
Remote Similarity | 0.6949 | NPC235788 |
Remote Similarity | 0.6923 | NPC90904 |
Remote Similarity | 0.6905 | NPC280532 |
Remote Similarity | 0.6897 | NPC302188 |
Remote Similarity | 0.6889 | NPC177022 |
Remote Similarity | 0.6885 | NPC241949 |
Remote Similarity | 0.6885 | NPC268736 |
Remote Similarity | 0.6885 | NPC477931 |
Remote Similarity | 0.6885 | NPC42060 |
Remote Similarity | 0.6875 | NPC236579 |
Remote Similarity | 0.6875 | NPC203531 |
Remote Similarity | 0.6875 | NPC289686 |
Remote Similarity | 0.6863 | NPC180534 |
Remote Similarity | 0.6833 | NPC314103 |
Remote Similarity | 0.6809 | NPC165533 |
Remote Similarity | 0.68 | NPC166287 |
Remote Similarity | 0.6792 | NPC470412 |
Remote Similarity | 0.6792 | NPC470410 |
Remote Similarity | 0.6774 | NPC476626 |
Remote Similarity | 0.6774 | NPC474221 |
Remote Similarity | 0.6774 | NPC478180 |
Remote Similarity | 0.6774 | NPC41542 |
Remote Similarity | 0.6774 | NPC130459 |
Remote Similarity | 0.6774 | NPC286842 |
Remote Similarity | 0.6774 | NPC472875 |
Remote Similarity | 0.6744 | NPC328710 |
Remote Similarity | 0.6744 | NPC18224 |
Remote Similarity | 0.6739 | NPC316546 |
Remote Similarity | 0.6739 | NPC325454 |
Remote Similarity | 0.6739 | NPC38930 |
Remote Similarity | 0.6739 | NPC223315 |
Remote Similarity | 0.6735 | NPC76051 |
Remote Similarity | 0.6731 | NPC26253 |
Remote Similarity | 0.6727 | NPC87394 |
Remote Similarity | 0.6724 | NPC472019 |
Remote Similarity | 0.6724 | NPC472020 |
Remote Similarity | 0.6724 | NPC226602 |
Remote Similarity | 0.6667 | NPC281203 |
Remote Similarity | 0.6667 | NPC319279 |
Remote Similarity | 0.6667 | NPC281245 |
Remote Similarity | 0.6667 | NPC469724 |
Remote Similarity | 0.6667 | NPC319007 |
Remote Similarity | 0.6667 | NPC100917 |
Remote Similarity | 0.6667 | NPC470956 |
Remote Similarity | 0.6667 | NPC31187 |
Remote Similarity | 0.6667 | NPC476629 |
Remote Similarity | 0.6667 | NPC36616 |
Remote Similarity | 0.6667 | NPC328441 |
Remote Similarity | 0.6667 | NPC82315 |
Remote Similarity | 0.6667 | NPC476614 |
Remote Similarity | 0.6667 | NPC290445 |
Remote Similarity | 0.661 | NPC472021 |
Remote Similarity | 0.661 | NPC40206 |
Remote Similarity | 0.661 | NPC472328 |
Remote Similarity | 0.661 | NPC478126 |
Remote Similarity | 0.6604 | NPC50457 |
Remote Similarity | 0.66 | NPC469781 |
Remote Similarity | 0.66 | NPC287231 |
Remote Similarity | 0.66 | NPC47363 |
Remote Similarity | 0.6596 | NPC221022 |
Remote Similarity | 0.6596 | NPC141634 |
Remote Similarity | 0.6596 | NPC81263 |
Remote Similarity | 0.6562 | NPC252032 |
Remote Similarity | 0.6562 | NPC67608 |
Remote Similarity | 0.6562 | NPC196197 |
Remote Similarity | 0.6562 | NPC476734 |
Remote Similarity | 0.6562 | NPC469941 |
Remote Similarity | 0.6562 | NPC64466 |
Remote Similarity | 0.6562 | NPC98711 |
Remote Similarity | 0.6562 | NPC474962 |
Remote Similarity | 0.6562 | NPC319671 |
Remote Similarity | 0.6552 | NPC329819 |
Remote Similarity | 0.6545 | NPC36061 |
Remote Similarity | 0.6545 | NPC1813 |
Remote Similarity | 0.6545 | NPC139029 |
Remote Similarity | 0.6545 | NPC294548 |
Remote Similarity | 0.6531 | NPC18397 |
Remote Similarity | 0.6522 | NPC158179 |
Remote Similarity | 0.6522 | NPC109026 |
Remote Similarity | 0.6522 | NPC69245 |
Remote Similarity | 0.6522 | NPC14608 |
Remote Similarity | 0.6508 | NPC60120 |
Remote Similarity | 0.6508 | NPC469925 |
Remote Similarity | 0.65 | NPC306750 |
Remote Similarity | 0.6481 | NPC100096 |
Remote Similarity | 0.6471 | NPC63182 |
Remote Similarity | 0.6471 | NPC52700 |
Remote Similarity | 0.6471 | NPC145045 |
Remote Similarity | 0.6471 | NPC105329 |
Remote Similarity | 0.6462 | NPC470268 |
Remote Similarity | 0.6462 | NPC18543 |
Remote Similarity | 0.6462 | NPC91369 |
Remote Similarity | 0.6462 | NPC235586 |
Remote Similarity | 0.6462 | NPC477929 |
Remote Similarity | 0.6462 | NPC108131 |
Remote Similarity | 0.6462 | NPC477850 |
Remote Similarity | 0.6458 | NPC215118 |
Remote Similarity | 0.6458 | NPC45270 |
Remote Similarity | 0.6458 | NPC135077 |
Remote Similarity | 0.6458 | NPC59570 |
Remote Similarity | 0.6444 | NPC317203 |
Remote Similarity | 0.6429 | NPC151140 |
Remote Similarity | 0.6429 | NPC174368 |
Remote Similarity | 0.6429 | NPC53463 |
Remote Similarity | 0.6429 | NPC424 |
Remote Similarity | 0.6429 | NPC281972 |
Remote Similarity | 0.6429 | NPC122768 |
Remote Similarity | 0.6429 | NPC469937 |
TTD   | DNC000660; DCL000905 |
DrugBank   | DB05343 |
ChEMBL   | CHEMBL3187683 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 208925 |
ChEBI   | |
CAS Number   | 185517-21-9 |
Molecular Weight   | 186.16 |
ALogP   | -1.2107 |
MLogP   | 2.45 |
XLogP   | 4.449 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 11 |
TPSA   | 37.3 |
RO5 Violation   | 0 |