Drug ID:   | NPD3028 |
Drug Name:   | Diethylstilbestrol Diphosphate |
Molecular Formula:   | C18H22O8P2 |
Canonical SMILES:   | CC/C(=C(c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O |
Standard InCHI:   | InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+ |
Standard InCHIKey:   | NLORYLAYLIXTID-ISLYRVAYSA-N |
Max Developmental Stage:   | Approved |
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 | 0.8571 | NPC26244 |
Intermediate Similarity | 0.8485 | NPC473388 |
Intermediate Similarity | 0.8469 | NPC151715 |
Intermediate Similarity | 0.8265 | NPC45040 |
Intermediate Similarity | 0.8247 | NPC280347 |
Intermediate Similarity | 0.8247 | NPC177420 |
Intermediate Similarity | 0.8163 | NPC55561 |
Intermediate Similarity | 0.8155 | NPC91461 |
Intermediate Similarity | 0.8155 | NPC7686 |
Intermediate Similarity | 0.8155 | NPC40258 |
Intermediate Similarity | 0.8144 | NPC25493 |
Intermediate Similarity | 0.8144 | NPC113460 |
Intermediate Similarity | 0.8137 | NPC51333 |
Intermediate Similarity | 0.8137 | NPC132078 |
Intermediate Similarity | 0.8137 | NPC216468 |
Intermediate Similarity | 0.8137 | NPC78119 |
Intermediate Similarity | 0.8137 | NPC92730 |
Intermediate Similarity | 0.8119 | NPC216520 |
Intermediate Similarity | 0.8119 | NPC292730 |
Intermediate Similarity | 0.8119 | NPC132271 |
Intermediate Similarity | 0.8119 | NPC82664 |
Intermediate Similarity | 0.81 | NPC128062 |
Intermediate Similarity | 0.8061 | NPC318325 |
Intermediate Similarity | 0.8061 | NPC242240 |
Intermediate Similarity | 0.8061 | NPC123273 |
Intermediate Similarity | 0.8058 | NPC213730 |
Intermediate Similarity | 0.8041 | NPC23167 |
Intermediate Similarity | 0.8039 | NPC225464 |
Intermediate Similarity | 0.802 | NPC274678 |
Intermediate Similarity | 0.7961 | NPC130193 |
Intermediate Similarity | 0.7938 | NPC197783 |
Intermediate Similarity | 0.7925 | NPC138942 |
Intermediate Similarity | 0.7925 | NPC154899 |
Intermediate Similarity | 0.7925 | NPC233396 |
Intermediate Similarity | 0.7921 | NPC76938 |
Intermediate Similarity | 0.7905 | NPC168829 |
Intermediate Similarity | 0.79 | NPC270547 |
Intermediate Similarity | 0.7879 | NPC258219 |
Intermediate Similarity | 0.7879 | NPC98772 |
Intermediate Similarity | 0.7864 | NPC201967 |
Intermediate Similarity | 0.7857 | NPC184169 |
Intermediate Similarity | 0.785 | NPC113457 |
Intermediate Similarity | 0.785 | NPC92623 |
Intermediate Similarity | 0.785 | NPC188677 |
Intermediate Similarity | 0.785 | NPC70843 |
Intermediate Similarity | 0.785 | NPC135464 |
Intermediate Similarity | 0.7843 | NPC32714 |
Intermediate Similarity | 0.7835 | NPC248817 |
Intermediate Similarity | 0.7835 | NPC175313 |
Intermediate Similarity | 0.783 | NPC8931 |
Intermediate Similarity | 0.783 | NPC120693 |
Intermediate Similarity | 0.783 | NPC288411 |
Intermediate Similarity | 0.783 | NPC261573 |
Intermediate Similarity | 0.7822 | NPC138117 |
Intermediate Similarity | 0.7822 | NPC325292 |
Intermediate Similarity | 0.78 | NPC300017 |
Intermediate Similarity | 0.7798 | NPC254833 |
Intermediate Similarity | 0.7798 | NPC228343 |
Intermediate Similarity | 0.7798 | NPC474272 |
Intermediate Similarity | 0.7757 | NPC474839 |
Intermediate Similarity | 0.7745 | NPC27323 |
Intermediate Similarity | 0.7745 | NPC316301 |
Intermediate Similarity | 0.7742 | NPC322285 |
Intermediate Similarity | 0.7736 | NPC68269 |
Intermediate Similarity | 0.7736 | NPC135784 |
Intermediate Similarity | 0.7732 | NPC265146 |
Intermediate Similarity | 0.7732 | NPC124436 |
Intermediate Similarity | 0.7727 | NPC63345 |
Intermediate Similarity | 0.7723 | NPC304541 |
Intermediate Similarity | 0.7714 | NPC294741 |
Intermediate Similarity | 0.7706 | NPC63698 |
Intermediate Similarity | 0.7706 | NPC11554 |
Intermediate Similarity | 0.7706 | NPC61885 |
Intermediate Similarity | 0.7692 | NPC32674 |
Intermediate Similarity | 0.7685 | NPC29989 |
Intermediate Similarity | 0.7685 | NPC271274 |
Intermediate Similarity | 0.7685 | NPC95178 |
Intermediate Similarity | 0.7685 | NPC69332 |
Intermediate Similarity | 0.7677 | NPC407 |
Intermediate Similarity | 0.7677 | NPC307235 |
Intermediate Similarity | 0.767 | NPC313650 |
Intermediate Similarity | 0.7664 | NPC323810 |
Intermediate Similarity | 0.7664 | NPC119860 |
Intermediate Similarity | 0.7664 | NPC471511 |
Intermediate Similarity | 0.7647 | NPC147284 |
Intermediate Similarity | 0.7647 | NPC271440 |
Intermediate Similarity | 0.7647 | NPC3358 |
Intermediate Similarity | 0.7647 | NPC94139 |
Intermediate Similarity | 0.7647 | NPC210497 |
Intermediate Similarity | 0.7647 | NPC306884 |
Intermediate Similarity | 0.7647 | NPC162314 |
Intermediate Similarity | 0.7642 | NPC300166 |
Intermediate Similarity | 0.7636 | NPC88141 |
Intermediate Similarity | 0.7629 | NPC95429 |
Intermediate Similarity | 0.7624 | NPC192 |
Intermediate Similarity | 0.7619 | NPC128723 |
Intermediate Similarity | 0.76 | NPC27974 |
Intermediate Similarity | 0.76 | NPC104216 |
Intermediate Similarity | 0.7593 | NPC219286 |
Intermediate Similarity | 0.7593 | NPC99557 |
Intermediate Similarity | 0.7589 | NPC43525 |
Intermediate Similarity | 0.7576 | NPC155393 |
Intermediate Similarity | 0.757 | NPC196479 |
Intermediate Similarity | 0.7568 | NPC44732 |
Intermediate Similarity | 0.7568 | NPC226401 |
Intermediate Similarity | 0.7568 | NPC147634 |
Intermediate Similarity | 0.7568 | NPC174096 |
Intermediate Similarity | 0.7568 | NPC79793 |
Intermediate Similarity | 0.7568 | NPC296683 |
Intermediate Similarity | 0.7568 | NPC120982 |
Intermediate Similarity | 0.7568 | NPC183700 |
Intermediate Similarity | 0.7568 | NPC475018 |
Intermediate Similarity | 0.7549 | NPC204210 |
Intermediate Similarity | 0.7549 | NPC155908 |
Intermediate Similarity | 0.7549 | NPC321956 |
Intermediate Similarity | 0.7547 | NPC225506 |
Intermediate Similarity | 0.7547 | NPC223393 |
Intermediate Similarity | 0.7545 | NPC262365 |
Intermediate Similarity | 0.7545 | NPC201959 |
Intermediate Similarity | 0.7545 | NPC75440 |
Intermediate Similarity | 0.7524 | NPC77492 |
Intermediate Similarity | 0.7524 | NPC260000 |
Intermediate Similarity | 0.7524 | NPC152097 |
Intermediate Similarity | 0.7523 | NPC39097 |
Intermediate Similarity | 0.7523 | NPC109691 |
Intermediate Similarity | 0.7523 | NPC118286 |
Intermediate Similarity | 0.7523 | NPC302681 |
Intermediate Similarity | 0.7523 | NPC470700 |
Intermediate Similarity | 0.7523 | NPC39664 |
Intermediate Similarity | 0.75 | NPC297657 |
Intermediate Similarity | 0.75 | NPC30506 |
Intermediate Similarity | 0.75 | NPC4493 |
Intermediate Similarity | 0.75 | NPC187583 |
Intermediate Similarity | 0.75 | NPC95716 |
Intermediate Similarity | 0.75 | NPC308689 |
Intermediate Similarity | 0.75 | NPC8392 |
Intermediate Similarity | 0.75 | NPC177576 |
Intermediate Similarity | 0.75 | NPC241891 |
Intermediate Similarity | 0.75 | NPC165770 |
Intermediate Similarity | 0.75 | NPC257430 |
Intermediate Similarity | 0.75 | NPC225679 |
Intermediate Similarity | 0.75 | NPC476632 |
Intermediate Similarity | 0.75 | NPC179002 |
Intermediate Similarity | 0.7477 | NPC79543 |
Intermediate Similarity | 0.7477 | NPC55617 |
Intermediate Similarity | 0.7477 | NPC62258 |
Intermediate Similarity | 0.7477 | NPC265211 |
Intermediate Similarity | 0.7477 | NPC306045 |
Intermediate Similarity | 0.7477 | NPC51015 |
Intermediate Similarity | 0.7476 | NPC181709 |
Intermediate Similarity | 0.7475 | NPC286904 |
Intermediate Similarity | 0.7456 | NPC12656 |
Intermediate Similarity | 0.7455 | NPC54844 |
Intermediate Similarity | 0.7453 | NPC280869 |
Intermediate Similarity | 0.7453 | NPC275104 |
Intermediate Similarity | 0.7453 | NPC122005 |
Intermediate Similarity | 0.7453 | NPC100870 |
Intermediate Similarity | 0.7453 | NPC80027 |
Intermediate Similarity | 0.7453 | NPC260775 |
Intermediate Similarity | 0.7453 | NPC252821 |
Intermediate Similarity | 0.7451 | NPC300478 |
Intermediate Similarity | 0.7451 | NPC71853 |
Intermediate Similarity | 0.7434 | NPC166995 |
Intermediate Similarity | 0.7434 | NPC153795 |
Intermediate Similarity | 0.7434 | NPC290353 |
Intermediate Similarity | 0.7434 | NPC46940 |
Intermediate Similarity | 0.7434 | NPC42911 |
Intermediate Similarity | 0.7431 | NPC470393 |
Intermediate Similarity | 0.7431 | NPC246056 |
Intermediate Similarity | 0.7431 | NPC292452 |
Intermediate Similarity | 0.7431 | NPC239291 |
Intermediate Similarity | 0.7431 | NPC134829 |
Intermediate Similarity | 0.7411 | NPC321252 |
Intermediate Similarity | 0.7411 | NPC475852 |
Intermediate Similarity | 0.7411 | NPC252544 |
Intermediate Similarity | 0.7411 | NPC21162 |
Intermediate Similarity | 0.7404 | NPC152415 |
Intermediate Similarity | 0.7404 | NPC471581 |
Intermediate Similarity | 0.7391 | NPC23402 |
Intermediate Similarity | 0.7387 | NPC96224 |
Intermediate Similarity | 0.7387 | NPC24101 |
Intermediate Similarity | 0.7383 | NPC48730 |
Intermediate Similarity | 0.7383 | NPC248396 |
Intermediate Similarity | 0.7383 | NPC129373 |
Intermediate Similarity | 0.7383 | NPC248573 |
Intermediate Similarity | 0.7383 | NPC275053 |
Intermediate Similarity | 0.7383 | NPC161571 |
Intermediate Similarity | 0.7383 | NPC12931 |
Intermediate Similarity | 0.7383 | NPC130756 |
Intermediate Similarity | 0.7383 | NPC70677 |
Intermediate Similarity | 0.7383 | NPC166761 |
Intermediate Similarity | 0.7379 | NPC306074 |
Intermediate Similarity | 0.7368 | NPC123175 |
Intermediate Similarity | 0.7368 | NPC117846 |
Intermediate Similarity | 0.7368 | NPC35344 |
Intermediate Similarity | 0.7368 | NPC141003 |
Intermediate Similarity | 0.7368 | NPC176730 |
Intermediate Similarity | 0.7368 | NPC165106 |
Intermediate Similarity | 0.7364 | NPC248904 |
Intermediate Similarity | 0.7364 | NPC477814 |
TTD   | DNAP001648 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 3032325 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 428.08 |
ALogP   | -0.1018 |
MLogP   | 2.34 |
XLogP   | 3.204 |
HDA   | 6 |
HBD   | 4 |
Rotatable Bonds   | 14 |
TPSA   | 153.14 |
RO5 Violation   | 0 |