Drug ID:   | NPD4265 |
Drug Name:   | |
Molecular Formula:   | C20H34O2 |
Canonical SMILES:   | OC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)C)CO)C |
Standard InCHI:   | InChI=1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3/b18-10+,19-14+,20-13- |
Standard InCHIKey:   | SUWYPNNPLSRNPS-UNTSEYQFSA-N |
Max Developmental Stage:   | Approved |
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 | 1.0 | NPC140501 |
High Similarity | 0.9524 | NPC116934 |
High Similarity | 0.9091 | NPC160628 |
High Similarity | 0.9048 | NPC269823 |
High Similarity | 0.8936 | NPC474495 |
High Similarity | 0.8936 | NPC473672 |
High Similarity | 0.8837 | NPC213538 |
High Similarity | 0.8837 | NPC256766 |
High Similarity | 0.8723 | NPC474460 |
High Similarity | 0.8571 | NPC103213 |
High Similarity | 0.8571 | NPC29091 |
High Similarity | 0.8571 | NPC255042 |
High Similarity | 0.8571 | NPC182840 |
High Similarity | 0.8571 | NPC474496 |
Intermediate Similarity | 0.8444 | NPC138935 |
Intermediate Similarity | 0.8125 | NPC267110 |
Intermediate Similarity | 0.7925 | NPC268185 |
Intermediate Similarity | 0.7907 | NPC34873 |
Intermediate Similarity | 0.7907 | NPC40434 |
Intermediate Similarity | 0.7843 | NPC217188 |
Intermediate Similarity | 0.7778 | NPC226848 |
Intermediate Similarity | 0.7727 | NPC15934 |
Intermediate Similarity | 0.7647 | NPC35756 |
Intermediate Similarity | 0.7636 | NPC475931 |
Intermediate Similarity | 0.7636 | NPC122239 |
Intermediate Similarity | 0.76 | NPC291437 |
Intermediate Similarity | 0.76 | NPC26960 |
Intermediate Similarity | 0.76 | NPC328784 |
Intermediate Similarity | 0.76 | NPC182102 |
Intermediate Similarity | 0.7547 | NPC329686 |
Intermediate Similarity | 0.75 | NPC76976 |
Intermediate Similarity | 0.75 | NPC24824 |
Intermediate Similarity | 0.75 | NPC165651 |
Intermediate Similarity | 0.75 | NPC210560 |
Intermediate Similarity | 0.7455 | NPC181872 |
Intermediate Similarity | 0.7451 | NPC151782 |
Intermediate Similarity | 0.7451 | NPC59408 |
Intermediate Similarity | 0.7451 | NPC129263 |
Intermediate Similarity | 0.7451 | NPC71053 |
Intermediate Similarity | 0.74 | NPC153538 |
Intermediate Similarity | 0.7358 | NPC49059 |
Intermediate Similarity | 0.7358 | NPC473532 |
Intermediate Similarity | 0.7358 | NPC256209 |
Intermediate Similarity | 0.7358 | NPC110732 |
Intermediate Similarity | 0.7347 | NPC308331 |
Intermediate Similarity | 0.7255 | NPC72699 |
Intermediate Similarity | 0.7255 | NPC20934 |
Intermediate Similarity | 0.7255 | NPC288381 |
Intermediate Similarity | 0.7255 | NPC225974 |
Intermediate Similarity | 0.7234 | NPC194586 |
Intermediate Similarity | 0.7234 | NPC68889 |
Intermediate Similarity | 0.7234 | NPC304151 |
Intermediate Similarity | 0.7234 | NPC209279 |
Intermediate Similarity | 0.7234 | NPC180871 |
Intermediate Similarity | 0.7234 | NPC67761 |
Intermediate Similarity | 0.7234 | NPC88079 |
Intermediate Similarity | 0.7234 | NPC108494 |
Intermediate Similarity | 0.7234 | NPC206906 |
Intermediate Similarity | 0.7234 | NPC51758 |
Intermediate Similarity | 0.7222 | NPC477725 |
Intermediate Similarity | 0.7222 | NPC148163 |
Intermediate Similarity | 0.7222 | NPC251666 |
Intermediate Similarity | 0.7222 | NPC232247 |
Intermediate Similarity | 0.7222 | NPC148216 |
Intermediate Similarity | 0.7222 | NPC281590 |
Intermediate Similarity | 0.7222 | NPC473721 |
Intermediate Similarity | 0.7222 | NPC473896 |
Intermediate Similarity | 0.7222 | NPC473725 |
Intermediate Similarity | 0.7222 | NPC475353 |
Intermediate Similarity | 0.7222 | NPC227135 |
Intermediate Similarity | 0.7222 | NPC130209 |
Intermediate Similarity | 0.7222 | NPC473910 |
Intermediate Similarity | 0.7222 | NPC477726 |
Intermediate Similarity | 0.7222 | NPC473735 |
Intermediate Similarity | 0.7209 | NPC58957 |
Intermediate Similarity | 0.72 | NPC318549 |
Intermediate Similarity | 0.717 | NPC34577 |
Intermediate Similarity | 0.7143 | NPC223679 |
Intermediate Similarity | 0.7143 | NPC155025 |
Intermediate Similarity | 0.7143 | NPC269074 |
Intermediate Similarity | 0.7115 | NPC244038 |
Intermediate Similarity | 0.7115 | NPC93639 |
Intermediate Similarity | 0.7091 | NPC473847 |
Intermediate Similarity | 0.7091 | NPC470968 |
Intermediate Similarity | 0.7091 | NPC471960 |
Intermediate Similarity | 0.7091 | NPC161838 |
Intermediate Similarity | 0.7091 | NPC475384 |
Intermediate Similarity | 0.7091 | NPC470967 |
Intermediate Similarity | 0.7091 | NPC470966 |
Intermediate Similarity | 0.7091 | NPC48891 |
Intermediate Similarity | 0.7091 | NPC477661 |
Intermediate Similarity | 0.7091 | NPC470969 |
Intermediate Similarity | 0.7083 | NPC252978 |
Intermediate Similarity | 0.7059 | NPC85079 |
Intermediate Similarity | 0.7059 | NPC31194 |
Intermediate Similarity | 0.7059 | NPC62755 |
Intermediate Similarity | 0.7059 | NPC248884 |
Intermediate Similarity | 0.7037 | NPC189677 |
Intermediate Similarity | 0.7018 | NPC322002 |
Intermediate Similarity | 0.7 | NPC35141 |
Intermediate Similarity | 0.7 | NPC308844 |
Intermediate Similarity | 0.7 | NPC180575 |
Intermediate Similarity | 0.7 | NPC124183 |
Intermediate Similarity | 0.7 | NPC282760 |
Remote Similarity | 0.6977 | NPC250734 |
Remote Similarity | 0.6964 | NPC470970 |
Remote Similarity | 0.6964 | NPC52012 |
Remote Similarity | 0.6964 | NPC71755 |
Remote Similarity | 0.6964 | NPC249850 |
Remote Similarity | 0.6964 | NPC135863 |
Remote Similarity | 0.6964 | NPC293437 |
Remote Similarity | 0.6964 | NPC129150 |
Remote Similarity | 0.6939 | NPC6963 |
Remote Similarity | 0.6939 | NPC108195 |
Remote Similarity | 0.6939 | NPC304079 |
Remote Similarity | 0.6923 | NPC199286 |
Remote Similarity | 0.6923 | NPC249670 |
Remote Similarity | 0.6923 | NPC474642 |
Remote Similarity | 0.6923 | NPC471281 |
Remote Similarity | 0.6923 | NPC477727 |
Remote Similarity | 0.6923 | NPC473913 |
Remote Similarity | 0.6909 | NPC298299 |
Remote Similarity | 0.6909 | NPC317899 |
Remote Similarity | 0.6897 | NPC130807 |
Remote Similarity | 0.6897 | NPC66020 |
Remote Similarity | 0.6897 | NPC240506 |
Remote Similarity | 0.6897 | NPC99487 |
Remote Similarity | 0.6897 | NPC471081 |
Remote Similarity | 0.6897 | NPC327112 |
Remote Similarity | 0.6875 | NPC46248 |
Remote Similarity | 0.6875 | NPC249801 |
Remote Similarity | 0.6842 | NPC254095 |
Remote Similarity | 0.6809 | NPC56917 |
Remote Similarity | 0.68 | NPC221379 |
Remote Similarity | 0.68 | NPC276825 |
Remote Similarity | 0.6792 | NPC197272 |
Remote Similarity | 0.6792 | NPC170776 |
Remote Similarity | 0.6792 | NPC55383 |
Remote Similarity | 0.6792 | NPC165447 |
Remote Similarity | 0.6792 | NPC76198 |
Remote Similarity | 0.6792 | NPC329608 |
Remote Similarity | 0.6792 | NPC471959 |
Remote Similarity | 0.6792 | NPC89824 |
Remote Similarity | 0.6792 | NPC294278 |
Remote Similarity | 0.6792 | NPC224148 |
Remote Similarity | 0.6792 | NPC256656 |
Remote Similarity | 0.6792 | NPC477723 |
Remote Similarity | 0.6792 | NPC9273 |
Remote Similarity | 0.6792 | NPC475477 |
Remote Similarity | 0.6786 | NPC472808 |
Remote Similarity | 0.6786 | NPC324224 |
Remote Similarity | 0.678 | NPC55376 |
Remote Similarity | 0.678 | NPC29468 |
Remote Similarity | 0.678 | NPC321867 |
Remote Similarity | 0.678 | NPC68679 |
Remote Similarity | 0.678 | NPC207007 |
Remote Similarity | 0.6774 | NPC68703 |
Remote Similarity | 0.6774 | NPC73603 |
Remote Similarity | 0.6774 | NPC69649 |
Remote Similarity | 0.6774 | NPC259299 |
Remote Similarity | 0.6731 | NPC471280 |
Remote Similarity | 0.6731 | NPC471276 |
Remote Similarity | 0.6731 | NPC302310 |
Remote Similarity | 0.6731 | NPC125122 |
Remote Similarity | 0.6731 | NPC471275 |
Remote Similarity | 0.6724 | NPC278202 |
Remote Similarity | 0.6724 | NPC322186 |
Remote Similarity | 0.6721 | NPC19569 |
Remote Similarity | 0.6667 | NPC472445 |
Remote Similarity | 0.6667 | NPC242117 |
Remote Similarity | 0.6667 | NPC188596 |
Remote Similarity | 0.6667 | NPC294938 |
Remote Similarity | 0.6667 | NPC197467 |
Remote Similarity | 0.6667 | NPC224532 |
Remote Similarity | 0.6667 | NPC142092 |
Remote Similarity | 0.6667 | NPC19834 |
Remote Similarity | 0.6667 | NPC11130 |
Remote Similarity | 0.6667 | NPC305698 |
Remote Similarity | 0.6667 | NPC469713 |
Remote Similarity | 0.6667 | NPC79544 |
Remote Similarity | 0.6667 | NPC473508 |
Remote Similarity | 0.6667 | NPC55063 |
Remote Similarity | 0.6667 | NPC68110 |
Remote Similarity | 0.661 | NPC258788 |
Remote Similarity | 0.6607 | NPC474644 |
Remote Similarity | 0.6607 | NPC242930 |
Remote Similarity | 0.6604 | NPC329773 |
Remote Similarity | 0.66 | NPC101616 |
Remote Similarity | 0.66 | NPC12907 |
Remote Similarity | 0.6562 | NPC239373 |
Remote Similarity | 0.6562 | NPC329989 |
Remote Similarity | 0.6557 | NPC309300 |
Remote Similarity | 0.6557 | NPC300593 |
Remote Similarity | 0.6557 | NPC110241 |
Remote Similarity | 0.6552 | NPC21946 |
Remote Similarity | 0.6545 | NPC477724 |
Remote Similarity | 0.6545 | NPC26102 |
Remote Similarity | 0.6545 | NPC187361 |
Remote Similarity | 0.6545 | NPC61177 |
Remote Similarity | 0.6538 | NPC91495 |
TTD   | DNAP001516 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 5282197 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 306.26 |
ALogP   | 3.7134 |
MLogP   | 3.44 |
XLogP   | 4.287 |
HDA   | 2 |
HBD   | 2 |
Rotatable Bonds   | 17 |
TPSA   | 40.46 |
RO5 Violation   | 1 |