Drug ID:   | NPD1510 |
Drug Name:   | Genistein |
Molecular Formula:   | C15H10O5 |
Canonical SMILES:   | Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O |
Standard InCHI:   | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H |
Standard InCHIKey:   | TZBJGXHYKVUXJN-UHFFFAOYSA-N |
Max Developmental Stage:   | Phase 2 |
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 | NPC39426 |
High Similarity | 1.0 | NPC234560 |
High Similarity | 0.9923 | NPC235428 |
High Similarity | 0.9923 | NPC87545 |
High Similarity | 0.9847 | NPC209560 |
High Similarity | 0.9847 | NPC181124 |
High Similarity | 0.9847 | NPC162680 |
High Similarity | 0.9847 | NPC7013 |
High Similarity | 0.9847 | NPC212767 |
High Similarity | 0.9847 | NPC294409 |
High Similarity | 0.9847 | NPC303644 |
High Similarity | 0.9847 | NPC116632 |
High Similarity | 0.9773 | NPC309154 |
High Similarity | 0.9773 | NPC90665 |
High Similarity | 0.9773 | NPC12175 |
High Similarity | 0.9773 | NPC279668 |
High Similarity | 0.9773 | NPC55162 |
High Similarity | 0.9773 | NPC278323 |
High Similarity | 0.9771 | NPC193792 |
High Similarity | 0.9699 | NPC295384 |
High Similarity | 0.9627 | NPC215311 |
High Similarity | 0.9627 | NPC204985 |
High Similarity | 0.9627 | NPC101366 |
High Similarity | 0.9627 | NPC80962 |
High Similarity | 0.9627 | NPC172250 |
High Similarity | 0.9627 | NPC48624 |
High Similarity | 0.9627 | NPC326109 |
High Similarity | 0.9627 | NPC259166 |
High Similarity | 0.9627 | NPC144118 |
High Similarity | 0.9627 | NPC219917 |
High Similarity | 0.9627 | NPC213659 |
High Similarity | 0.9556 | NPC26051 |
High Similarity | 0.9556 | NPC55832 |
High Similarity | 0.9556 | NPC52789 |
High Similarity | 0.9556 | NPC469404 |
High Similarity | 0.9556 | NPC268204 |
High Similarity | 0.9552 | NPC283429 |
High Similarity | 0.9538 | NPC313618 |
High Similarity | 0.9535 | NPC185497 |
High Similarity | 0.9481 | NPC253822 |
High Similarity | 0.9478 | NPC147686 |
High Similarity | 0.9478 | NPC472460 |
High Similarity | 0.9478 | NPC329225 |
High Similarity | 0.947 | NPC286336 |
High Similarity | 0.947 | NPC172262 |
High Similarity | 0.9466 | NPC212631 |
High Similarity | 0.9466 | NPC205468 |
High Similarity | 0.9466 | NPC87231 |
High Similarity | 0.9466 | NPC129132 |
High Similarity | 0.9466 | NPC257756 |
High Similarity | 0.9466 | NPC182428 |
High Similarity | 0.9457 | NPC60558 |
High Similarity | 0.9416 | NPC117836 |
High Similarity | 0.9416 | NPC38065 |
High Similarity | 0.9416 | NPC51887 |
High Similarity | 0.9416 | NPC475705 |
High Similarity | 0.9416 | NPC242893 |
High Similarity | 0.9416 | NPC476178 |
High Similarity | 0.9407 | NPC201541 |
High Similarity | 0.9407 | NPC316480 |
High Similarity | 0.9407 | NPC261234 |
High Similarity | 0.9403 | NPC250266 |
High Similarity | 0.9403 | NPC287246 |
High Similarity | 0.9403 | NPC476480 |
High Similarity | 0.9403 | NPC79943 |
High Similarity | 0.9403 | NPC295261 |
High Similarity | 0.9403 | NPC266597 |
High Similarity | 0.9403 | NPC275055 |
High Similarity | 0.9403 | NPC290291 |
High Similarity | 0.9403 | NPC84585 |
High Similarity | 0.9403 | NPC107586 |
High Similarity | 0.9403 | NPC296490 |
High Similarity | 0.9403 | NPC228661 |
High Similarity | 0.9403 | NPC32441 |
High Similarity | 0.9403 | NPC243083 |
High Similarity | 0.9403 | NPC13768 |
High Similarity | 0.9403 | NPC12296 |
High Similarity | 0.9398 | NPC239495 |
High Similarity | 0.9398 | NPC9985 |
High Similarity | 0.9394 | NPC192304 |
High Similarity | 0.9394 | NPC139813 |
High Similarity | 0.9394 | NPC82225 |
High Similarity | 0.9394 | NPC337373 |
High Similarity | 0.9394 | NPC18877 |
High Similarity | 0.9394 | NPC188646 |
High Similarity | 0.9394 | NPC56031 |
High Similarity | 0.9394 | NPC175098 |
High Similarity | 0.9394 | NPC144051 |
High Similarity | 0.9394 | NPC50898 |
High Similarity | 0.9394 | NPC159623 |
High Similarity | 0.9394 | NPC213216 |
High Similarity | 0.9394 | NPC263670 |
High Similarity | 0.9394 | NPC274121 |
High Similarity | 0.9394 | NPC28753 |
High Similarity | 0.9394 | NPC78540 |
High Similarity | 0.9394 | NPC20560 |
High Similarity | 0.9394 | NPC294593 |
High Similarity | 0.9394 | NPC204960 |
High Similarity | 0.9394 | NPC242294 |
High Similarity | 0.9394 | NPC57601 |
High Similarity | 0.9394 | NPC223354 |
High Similarity | 0.9394 | NPC312318 |
High Similarity | 0.9394 | NPC472365 |
High Similarity | 0.9389 | NPC262359 |
High Similarity | 0.9389 | NPC308037 |
High Similarity | 0.9389 | NPC64359 |
High Similarity | 0.9348 | NPC476055 |
High Similarity | 0.9343 | NPC202981 |
High Similarity | 0.9333 | NPC280284 |
High Similarity | 0.9333 | NPC188947 |
High Similarity | 0.9333 | NPC118813 |
High Similarity | 0.9333 | NPC99333 |
High Similarity | 0.9333 | NPC124269 |
High Similarity | 0.9333 | NPC21350 |
High Similarity | 0.9328 | NPC472364 |
High Similarity | 0.9328 | NPC29353 |
High Similarity | 0.9328 | NPC66349 |
High Similarity | 0.9328 | NPC234133 |
High Similarity | 0.9328 | NPC249606 |
High Similarity | 0.9328 | NPC1486 |
High Similarity | 0.9328 | NPC12165 |
High Similarity | 0.9328 | NPC150399 |
High Similarity | 0.9328 | NPC124784 |
High Similarity | 0.9328 | NPC47815 |
High Similarity | 0.9328 | NPC477242 |
High Similarity | 0.9328 | NPC194281 |
High Similarity | 0.9328 | NPC274109 |
High Similarity | 0.9328 | NPC41461 |
High Similarity | 0.9328 | NPC168105 |
High Similarity | 0.9328 | NPC25287 |
High Similarity | 0.9328 | NPC473887 |
High Similarity | 0.9328 | NPC473391 |
High Similarity | 0.9328 | NPC213603 |
High Similarity | 0.9328 | NPC98115 |
High Similarity | 0.9328 | NPC477243 |
High Similarity | 0.9328 | NPC127447 |
High Similarity | 0.9328 | NPC186838 |
High Similarity | 0.9328 | NPC231772 |
High Similarity | 0.9328 | NPC477244 |
High Similarity | 0.9281 | NPC12377 |
High Similarity | 0.927 | NPC321980 |
High Similarity | 0.927 | NPC110969 |
High Similarity | 0.927 | NPC470089 |
High Similarity | 0.927 | NPC470087 |
High Similarity | 0.927 | NPC3188 |
High Similarity | 0.9265 | NPC329203 |
High Similarity | 0.9265 | NPC265871 |
High Similarity | 0.9265 | NPC150648 |
High Similarity | 0.9265 | NPC225153 |
High Similarity | 0.9265 | NPC274784 |
High Similarity | 0.9265 | NPC469523 |
High Similarity | 0.9265 | NPC18260 |
High Similarity | 0.9265 | NPC222342 |
High Similarity | 0.9265 | NPC470211 |
High Similarity | 0.9265 | NPC20709 |
High Similarity | 0.9265 | NPC49242 |
High Similarity | 0.9265 | NPC310135 |
High Similarity | 0.9265 | NPC477956 |
High Similarity | 0.9265 | NPC78913 |
High Similarity | 0.9259 | NPC188879 |
High Similarity | 0.9259 | NPC317119 |
High Similarity | 0.9259 | NPC153979 |
High Similarity | 0.9259 | NPC472419 |
High Similarity | 0.9259 | NPC299379 |
High Similarity | 0.9254 | NPC156092 |
High Similarity | 0.9254 | NPC13575 |
High Similarity | 0.9254 | NPC131039 |
High Similarity | 0.9242 | NPC164236 |
High Similarity | 0.9242 | NPC309717 |
High Similarity | 0.9242 | NPC475008 |
High Similarity | 0.9242 | NPC186097 |
High Similarity | 0.9242 | NPC65060 |
High Similarity | 0.9242 | NPC475009 |
High Similarity | 0.9242 | NPC128348 |
High Similarity | 0.9242 | NPC113006 |
High Similarity | 0.9242 | NPC112192 |
High Similarity | 0.9242 | NPC66384 |
High Similarity | 0.9242 | NPC189106 |
High Similarity | 0.9237 | NPC247779 |
High Similarity | 0.9231 | NPC80694 |
High Similarity | 0.9231 | NPC186098 |
High Similarity | 0.9214 | NPC201731 |
High Similarity | 0.9214 | NPC188074 |
High Similarity | 0.9214 | NPC97716 |
High Similarity | 0.9214 | NPC125449 |
High Similarity | 0.9214 | NPC79469 |
High Similarity | 0.9214 | NPC237635 |
High Similarity | 0.9214 | NPC51070 |
High Similarity | 0.9214 | NPC104406 |
High Similarity | 0.9214 | NPC222298 |
High Similarity | 0.9214 | NPC24673 |
High Similarity | 0.9209 | NPC234629 |
High Similarity | 0.9209 | NPC303185 |
High Similarity | 0.9209 | NPC311741 |
High Similarity | 0.9209 | NPC184649 |
High Similarity | 0.9203 | NPC11561 |
High Similarity | 0.9203 | NPC226636 |
High Similarity | 0.9197 | NPC269652 |
High Similarity | 0.9197 | NPC241100 |
High Similarity | 0.9197 | NPC188243 |
Molecular Weight   | 270.05 |
ALogP   | -2.0476 |
MLogP   | 2.56 |
XLogP   | 1.512 |
HDA   | 1 |
HBD   | 3 |
Rotatable Bonds   | 4 |
TPSA   | 86.99 |
RO5 Violation   | 0 |