Drug ID:   | NPD3210 |
Drug Name:   | |
Molecular Formula:   | C18H37NO2 |
Canonical SMILES:   | CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O |
Standard InCHI:   | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1 |
Standard InCHIKey:   | WWUZIQQURGPMPG-KRWOKUGFSA-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 | 1.0 | NPC55068 |
High Similarity | 0.8923 | NPC324638 |
Intermediate Similarity | 0.8308 | NPC113224 |
Intermediate Similarity | 0.8254 | NPC47333 |
Intermediate Similarity | 0.7941 | NPC103712 |
Intermediate Similarity | 0.7941 | NPC291196 |
Intermediate Similarity | 0.7639 | NPC140327 |
Intermediate Similarity | 0.7639 | NPC51055 |
Intermediate Similarity | 0.7639 | NPC3094 |
Intermediate Similarity | 0.7639 | NPC212008 |
Intermediate Similarity | 0.7639 | NPC62293 |
Intermediate Similarity | 0.7619 | NPC168308 |
Intermediate Similarity | 0.7619 | NPC302569 |
Intermediate Similarity | 0.75 | NPC288086 |
Intermediate Similarity | 0.7424 | NPC29468 |
Intermediate Similarity | 0.7353 | NPC477525 |
Intermediate Similarity | 0.7273 | NPC130807 |
Intermediate Similarity | 0.7213 | NPC474495 |
Intermediate Similarity | 0.7213 | NPC473672 |
Intermediate Similarity | 0.7213 | NPC151782 |
Intermediate Similarity | 0.7143 | NPC79367 |
Intermediate Similarity | 0.7143 | NPC207657 |
Intermediate Similarity | 0.7049 | NPC72699 |
Remote Similarity | 0.6984 | NPC474496 |
Remote Similarity | 0.6935 | NPC59408 |
Remote Similarity | 0.6935 | NPC71053 |
Remote Similarity | 0.6892 | NPC314678 |
Remote Similarity | 0.6892 | NPC26932 |
Remote Similarity | 0.6885 | NPC85079 |
Remote Similarity | 0.6885 | NPC31194 |
Remote Similarity | 0.6885 | NPC248884 |
Remote Similarity | 0.6885 | NPC153538 |
Remote Similarity | 0.6883 | NPC475363 |
Remote Similarity | 0.6883 | NPC473971 |
Remote Similarity | 0.6883 | NPC473972 |
Remote Similarity | 0.6875 | NPC473532 |
Remote Similarity | 0.6875 | NPC49059 |
Remote Similarity | 0.6875 | NPC256209 |
Remote Similarity | 0.6866 | NPC326524 |
Remote Similarity | 0.6866 | NPC325550 |
Remote Similarity | 0.6866 | NPC329003 |
Remote Similarity | 0.6835 | NPC82799 |
Remote Similarity | 0.6825 | NPC123814 |
Remote Similarity | 0.6812 | NPC471023 |
Remote Similarity | 0.68 | NPC473588 |
Remote Similarity | 0.68 | NPC78562 |
Remote Similarity | 0.6774 | NPC473913 |
Remote Similarity | 0.6774 | NPC199286 |
Remote Similarity | 0.6774 | NPC477727 |
Remote Similarity | 0.6774 | NPC474642 |
Remote Similarity | 0.6774 | NPC471281 |
Remote Similarity | 0.6774 | NPC249670 |
Remote Similarity | 0.6769 | NPC473896 |
Remote Similarity | 0.6769 | NPC473735 |
Remote Similarity | 0.6769 | NPC473725 |
Remote Similarity | 0.6769 | NPC473721 |
Remote Similarity | 0.6769 | NPC475353 |
Remote Similarity | 0.6769 | NPC242930 |
Remote Similarity | 0.6769 | NPC477726 |
Remote Similarity | 0.6769 | NPC477725 |
Remote Similarity | 0.6769 | NPC473910 |
Remote Similarity | 0.6761 | NPC129995 |
Remote Similarity | 0.6761 | NPC315141 |
Remote Similarity | 0.6716 | NPC321030 |
Remote Similarity | 0.6716 | NPC181872 |
Remote Similarity | 0.6711 | NPC217095 |
Remote Similarity | 0.6711 | NPC264417 |
Remote Similarity | 0.6667 | NPC477661 |
Remote Similarity | 0.6667 | NPC475477 |
Remote Similarity | 0.6667 | NPC170776 |
Remote Similarity | 0.6667 | NPC475384 |
Remote Similarity | 0.6667 | NPC470968 |
Remote Similarity | 0.6667 | NPC471959 |
Remote Similarity | 0.6667 | NPC55383 |
Remote Similarity | 0.6667 | NPC470967 |
Remote Similarity | 0.6667 | NPC89824 |
Remote Similarity | 0.6667 | NPC477723 |
Remote Similarity | 0.6667 | NPC471960 |
Remote Similarity | 0.6667 | NPC9273 |
Remote Similarity | 0.6667 | NPC470969 |
Remote Similarity | 0.6667 | NPC470966 |
Remote Similarity | 0.6667 | NPC165447 |
Remote Similarity | 0.6667 | NPC76198 |
Remote Similarity | 0.6667 | NPC294278 |
Remote Similarity | 0.6667 | NPC197272 |
Remote Similarity | 0.6667 | NPC256656 |
Remote Similarity | 0.6667 | NPC329608 |
Remote Similarity | 0.6667 | NPC473847 |
Remote Similarity | 0.6667 | NPC224148 |
Remote Similarity | 0.6667 | NPC161838 |
Remote Similarity | 0.6667 | NPC93639 |
Remote Similarity | 0.6618 | NPC312826 |
Remote Similarity | 0.6615 | NPC110732 |
Remote Similarity | 0.6613 | NPC125122 |
Remote Similarity | 0.6613 | NPC471275 |
Remote Similarity | 0.6613 | NPC471276 |
Remote Similarity | 0.6613 | NPC471280 |
Remote Similarity | 0.6567 | NPC470970 |
Remote Similarity | 0.6562 | NPC474322 |
Remote Similarity | 0.6557 | NPC124183 |
Remote Similarity | 0.6557 | NPC55063 |
Remote Similarity | 0.6557 | NPC35141 |
Remote Similarity | 0.6557 | NPC19834 |
Remote Similarity | 0.6508 | NPC291437 |
Remote Similarity | 0.6508 | NPC328784 |
Remote Similarity | 0.6508 | NPC474460 |
Remote Similarity | 0.6486 | NPC127145 |
Remote Similarity | 0.6486 | NPC475930 |
Remote Similarity | 0.6486 | NPC280065 |
Remote Similarity | 0.6486 | NPC45060 |
Remote Similarity | 0.6438 | NPC470663 |
Remote Similarity | 0.6429 | NPC51166 |
Remote Similarity | 0.6418 | NPC8979 |
Remote Similarity | 0.6406 | NPC129263 |
Remote Similarity | 0.6406 | NPC261571 |
Remote Similarity | 0.64 | NPC97614 |
Remote Similarity | 0.64 | NPC315199 |
Remote Similarity | 0.64 | NPC474674 |
Remote Similarity | 0.6393 | NPC76976 |
Remote Similarity | 0.6393 | NPC160628 |
Remote Similarity | 0.6393 | NPC140501 |
Remote Similarity | 0.6393 | NPC269074 |
Remote Similarity | 0.6377 | NPC122239 |
Remote Similarity | 0.6377 | NPC475931 |
Remote Similarity | 0.6375 | NPC314762 |
Remote Similarity | 0.6364 | NPC48058 |
Remote Similarity | 0.6351 | NPC249713 |
Remote Similarity | 0.6351 | NPC23721 |
Remote Similarity | 0.6349 | NPC302310 |
Remote Similarity | 0.6338 | NPC477106 |
Remote Similarity | 0.6333 | NPC116934 |
Remote Similarity | 0.6324 | NPC193975 |
Remote Similarity | 0.6308 | NPC188341 |
Remote Similarity | 0.6308 | NPC35756 |
Remote Similarity | 0.6308 | NPC49494 |
Remote Similarity | 0.6308 | NPC142092 |
Remote Similarity | 0.6286 | NPC327112 |
Remote Similarity | 0.6269 | NPC146551 |
Remote Similarity | 0.6269 | NPC474513 |
Remote Similarity | 0.6269 | NPC317899 |
Remote Similarity | 0.6269 | NPC329686 |
Remote Similarity | 0.6269 | NPC470963 |
Remote Similarity | 0.6269 | NPC474644 |
Remote Similarity | 0.6267 | NPC137620 |
Remote Similarity | 0.6267 | NPC471022 |
Remote Similarity | 0.6267 | NPC474675 |
Remote Similarity | 0.625 | NPC235311 |
Remote Similarity | 0.625 | NPC253468 |
Remote Similarity | 0.6234 | NPC305223 |
Remote Similarity | 0.6232 | NPC226848 |
Remote Similarity | 0.623 | NPC108195 |
Remote Similarity | 0.623 | NPC101616 |
Remote Similarity | 0.6212 | NPC26102 |
Remote Similarity | 0.6212 | NPC477724 |
Remote Similarity | 0.6212 | NPC34577 |
Remote Similarity | 0.6212 | NPC217188 |
Remote Similarity | 0.6212 | NPC187361 |
Remote Similarity | 0.6207 | NPC15934 |
Remote Similarity | 0.6197 | NPC475984 |
Remote Similarity | 0.619 | NPC121062 |
Remote Similarity | 0.619 | NPC29222 |
Remote Similarity | 0.619 | NPC96966 |
Remote Similarity | 0.6176 | NPC104138 |
Remote Similarity | 0.6176 | NPC311648 |
Remote Similarity | 0.6176 | NPC261158 |
Remote Similarity | 0.6176 | NPC470964 |
Remote Similarity | 0.6176 | NPC24216 |
Remote Similarity | 0.6176 | NPC306420 |
Remote Similarity | 0.6176 | NPC473865 |
Remote Similarity | 0.6176 | NPC474643 |
Remote Similarity | 0.6167 | NPC249801 |
Remote Similarity | 0.6167 | NPC46248 |
Remote Similarity | 0.6164 | NPC245947 |
Remote Similarity | 0.6164 | NPC255863 |
Remote Similarity | 0.6164 | NPC136164 |
Remote Similarity | 0.6164 | NPC308844 |
Remote Similarity | 0.6154 | NPC470993 |
Remote Similarity | 0.6154 | NPC470992 |
Remote Similarity | 0.6145 | NPC474312 |
Remote Similarity | 0.6143 | NPC319131 |
Remote Similarity | 0.6143 | NPC74617 |
Remote Similarity | 0.6143 | NPC150505 |
Remote Similarity | 0.6136 | NPC74672 |
Remote Similarity | 0.6136 | NPC43074 |
Remote Similarity | 0.6136 | NPC242503 |
Remote Similarity | 0.6136 | NPC209047 |
Remote Similarity | 0.6136 | NPC139782 |
Remote Similarity | 0.6111 | NPC29697 |
Remote Similarity | 0.6111 | NPC470965 |
Remote Similarity | 0.6087 | NPC44542 |
Remote Similarity | 0.6087 | NPC48968 |
Remote Similarity | 0.6087 | NPC594 |
Remote Similarity | 0.6071 | NPC228638 |
Remote Similarity | 0.6067 | NPC263545 |
Remote Similarity | 0.6067 | NPC186840 |
Remote Similarity | 0.6067 | NPC15851 |
Remote Similarity | 0.6067 | NPC182632 |
Remote Similarity | 0.6067 | NPC473604 |
Remote Similarity | 0.6067 | NPC473950 |
Remote Similarity | 0.6067 | NPC282705 |
Molecular Weight   | 299.28 |
ALogP   | -4.153 |
MLogP   | 3.11 |
XLogP   | 6.018 |
HDA   | 3 |
HBD   | 3 |
Rotatable Bonds   | 19 |
TPSA   | 66.48 |
RO5 Violation   | 2 |