Drug ID:   | NPD7961 |
Drug Name:   | Co-2-1068 |
Molecular Formula:   | C35H44O7 |
Canonical SMILES:   | O=C(OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@](C2)(O)C#Cc1ccc(cc1)C(=O)C)CCC(=O)[O-] |
Standard InCHI:   | InChI=1S/C35H44O7/c1-22(36)24-6-4-23(5-7-24)14-17-35(41)19-18-33(2)25(20-35)8-9-26-27-10-11-29(34(27,3)16-15-28(26)33)30(37)21-42-32(40)13-12-31(38)39/h4-7,25-29,41H,8-13,15-16,18-21H2,1-3H3,(H,38,39)/p-1/t25-,26+,27+,28+,29-,33+,34+,35-/m1/s1 |
Standard InCHIKey:   | VGGOCXQMNSPMBC-AHUVBYTPSA-M |
Max Developmental Stage:   | Discontinued |
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 | 0.8504 | NPC202015 |
Intermediate Similarity | 0.8321 | NPC328107 |
Intermediate Similarity | 0.8248 | NPC203486 |
Intermediate Similarity | 0.8248 | NPC329913 |
Intermediate Similarity | 0.8116 | NPC126516 |
Intermediate Similarity | 0.8074 | NPC115797 |
Intermediate Similarity | 0.8074 | NPC51448 |
Intermediate Similarity | 0.806 | NPC470765 |
Intermediate Similarity | 0.8045 | NPC318067 |
Intermediate Similarity | 0.8 | NPC470753 |
Intermediate Similarity | 0.8 | NPC473220 |
Intermediate Similarity | 0.7986 | NPC48929 |
Intermediate Similarity | 0.7956 | NPC475138 |
Intermediate Similarity | 0.791 | NPC472681 |
Intermediate Similarity | 0.7879 | NPC472680 |
Intermediate Similarity | 0.7879 | NPC472679 |
Intermediate Similarity | 0.7868 | NPC48992 |
Intermediate Similarity | 0.7863 | NPC472698 |
Intermediate Similarity | 0.7863 | NPC472697 |
Intermediate Similarity | 0.781 | NPC472678 |
Intermediate Similarity | 0.7786 | NPC472656 |
Intermediate Similarity | 0.777 | NPC473215 |
Intermediate Similarity | 0.777 | NPC470278 |
Intermediate Similarity | 0.7769 | NPC9274 |
Intermediate Similarity | 0.7755 | NPC475552 |
Intermediate Similarity | 0.7737 | NPC169913 |
Intermediate Similarity | 0.7737 | NPC470648 |
Intermediate Similarity | 0.7718 | NPC473214 |
Intermediate Similarity | 0.7718 | NPC125033 |
Intermediate Similarity | 0.7718 | NPC470245 |
Intermediate Similarity | 0.7718 | NPC112216 |
Intermediate Similarity | 0.7698 | NPC21929 |
Intermediate Similarity | 0.7681 | NPC478165 |
Intermediate Similarity | 0.7681 | NPC478162 |
Intermediate Similarity | 0.7674 | NPC93287 |
Intermediate Similarity | 0.7674 | NPC470253 |
Intermediate Similarity | 0.7669 | NPC476645 |
Intermediate Similarity | 0.7664 | NPC275576 |
Intermediate Similarity | 0.7656 | NPC265513 |
Intermediate Similarity | 0.7652 | NPC222968 |
Intermediate Similarity | 0.7652 | NPC80605 |
Intermediate Similarity | 0.7652 | NPC323440 |
Intermediate Similarity | 0.7651 | NPC476975 |
Intermediate Similarity | 0.7651 | NPC473403 |
Intermediate Similarity | 0.7635 | NPC473602 |
Intermediate Similarity | 0.7632 | NPC282239 |
Intermediate Similarity | 0.7619 | NPC470231 |
Intermediate Similarity | 0.7612 | NPC473243 |
Intermediate Similarity | 0.7609 | NPC171007 |
Intermediate Similarity | 0.7609 | NPC190849 |
Intermediate Similarity | 0.7603 | NPC183540 |
Intermediate Similarity | 0.76 | NPC198455 |
Intermediate Similarity | 0.76 | NPC165260 |
Intermediate Similarity | 0.76 | NPC161239 |
Intermediate Similarity | 0.76 | NPC7095 |
Intermediate Similarity | 0.7597 | NPC280789 |
Intermediate Similarity | 0.7586 | NPC473440 |
Intermediate Similarity | 0.7582 | NPC217091 |
Intermediate Similarity | 0.7582 | NPC106895 |
Intermediate Similarity | 0.7571 | NPC471832 |
Intermediate Similarity | 0.7569 | NPC475373 |
Intermediate Similarity | 0.7568 | NPC471162 |
Intermediate Similarity | 0.7566 | NPC77719 |
Intermediate Similarity | 0.7557 | NPC217111 |
Intermediate Similarity | 0.7556 | NPC476234 |
Intermediate Similarity | 0.7552 | NPC23894 |
Intermediate Similarity | 0.7552 | NPC474659 |
Intermediate Similarity | 0.755 | NPC51602 |
Intermediate Similarity | 0.7537 | NPC204784 |
Intermediate Similarity | 0.7536 | NPC328997 |
Intermediate Similarity | 0.7536 | NPC294050 |
Intermediate Similarity | 0.7533 | NPC81698 |
Intermediate Similarity | 0.7533 | NPC60509 |
Intermediate Similarity | 0.7533 | NPC250046 |
Intermediate Similarity | 0.7532 | NPC472393 |
Intermediate Similarity | 0.7519 | NPC61651 |
Intermediate Similarity | 0.7518 | NPC472692 |
Intermediate Similarity | 0.7518 | NPC472682 |
Intermediate Similarity | 0.7518 | NPC471334 |
Intermediate Similarity | 0.7518 | NPC72915 |
Intermediate Similarity | 0.7518 | NPC85511 |
Intermediate Similarity | 0.7516 | NPC112523 |
Intermediate Similarity | 0.7516 | NPC114410 |
Intermediate Similarity | 0.75 | NPC472570 |
Intermediate Similarity | 0.75 | NPC225103 |
Intermediate Similarity | 0.75 | NPC188865 |
Intermediate Similarity | 0.75 | NPC471912 |
Intermediate Similarity | 0.75 | NPC25768 |
Intermediate Similarity | 0.75 | NPC95810 |
Intermediate Similarity | 0.75 | NPC70716 |
Intermediate Similarity | 0.75 | NPC472569 |
Intermediate Similarity | 0.75 | NPC11685 |
Intermediate Similarity | 0.75 | NPC472573 |
Intermediate Similarity | 0.75 | NPC163719 |
Intermediate Similarity | 0.75 | NPC125106 |
Intermediate Similarity | 0.75 | NPC80895 |
Intermediate Similarity | 0.75 | NPC475122 |
Intermediate Similarity | 0.75 | NPC57628 |
Intermediate Similarity | 0.75 | NPC476974 |
Intermediate Similarity | 0.75 | NPC95265 |
Intermediate Similarity | 0.7484 | NPC471102 |
Intermediate Similarity | 0.7483 | NPC254558 |
Intermediate Similarity | 0.7483 | NPC471911 |
Intermediate Similarity | 0.7483 | NPC475135 |
Intermediate Similarity | 0.7483 | NPC472546 |
Intermediate Similarity | 0.7483 | NPC4242 |
Intermediate Similarity | 0.7483 | NPC477368 |
Intermediate Similarity | 0.7482 | NPC146239 |
Intermediate Similarity | 0.7481 | NPC471721 |
Intermediate Similarity | 0.748 | NPC100767 |
Intermediate Similarity | 0.7466 | NPC248287 |
Intermediate Similarity | 0.7466 | NPC234548 |
Intermediate Similarity | 0.7465 | NPC209851 |
Intermediate Similarity | 0.7464 | NPC295664 |
Intermediate Similarity | 0.7463 | NPC318173 |
Intermediate Similarity | 0.7462 | NPC218855 |
Intermediate Similarity | 0.746 | NPC329282 |
Intermediate Similarity | 0.7452 | NPC55744 |
Intermediate Similarity | 0.7451 | NPC472657 |
Intermediate Similarity | 0.7451 | NPC265395 |
Intermediate Similarity | 0.7451 | NPC472022 |
Intermediate Similarity | 0.7451 | NPC473414 |
Intermediate Similarity | 0.7451 | NPC472030 |
Intermediate Similarity | 0.7451 | NPC249471 |
Intermediate Similarity | 0.7451 | NPC1173 |
Intermediate Similarity | 0.7451 | NPC158333 |
Intermediate Similarity | 0.7451 | NPC256142 |
Intermediate Similarity | 0.7451 | NPC237549 |
Intermediate Similarity | 0.7451 | NPC472658 |
Intermediate Similarity | 0.7451 | NPC257213 |
Intermediate Similarity | 0.7451 | NPC304876 |
Intermediate Similarity | 0.7451 | NPC472005 |
Intermediate Similarity | 0.7451 | NPC242262 |
Intermediate Similarity | 0.745 | NPC472556 |
Intermediate Similarity | 0.745 | NPC177940 |
Intermediate Similarity | 0.745 | NPC200471 |
Intermediate Similarity | 0.745 | NPC470157 |
Intermediate Similarity | 0.745 | NPC96903 |
Intermediate Similarity | 0.745 | NPC277053 |
Intermediate Similarity | 0.745 | NPC473088 |
Intermediate Similarity | 0.745 | NPC301946 |
Intermediate Similarity | 0.745 | NPC472575 |
Intermediate Similarity | 0.745 | NPC472568 |
Intermediate Similarity | 0.745 | NPC158663 |
Intermediate Similarity | 0.745 | NPC171525 |
Intermediate Similarity | 0.745 | NPC472571 |
Intermediate Similarity | 0.745 | NPC470159 |
Intermediate Similarity | 0.745 | NPC70403 |
Intermediate Similarity | 0.745 | NPC184817 |
Intermediate Similarity | 0.745 | NPC469349 |
Intermediate Similarity | 0.745 | NPC476973 |
Intermediate Similarity | 0.745 | NPC471104 |
Intermediate Similarity | 0.745 | NPC472572 |
Intermediate Similarity | 0.745 | NPC174982 |
Intermediate Similarity | 0.745 | NPC127857 |
Intermediate Similarity | 0.745 | NPC29704 |
Intermediate Similarity | 0.7447 | NPC272946 |
Intermediate Similarity | 0.7447 | NPC473443 |
Intermediate Similarity | 0.7447 | NPC472388 |
Intermediate Similarity | 0.7447 | NPC147561 |
Intermediate Similarity | 0.7444 | NPC105141 |
Intermediate Similarity | 0.7444 | NPC242764 |
Intermediate Similarity | 0.7434 | NPC306799 |
Intermediate Similarity | 0.7434 | NPC101043 |
Intermediate Similarity | 0.7434 | NPC471103 |
Intermediate Similarity | 0.7434 | NPC470153 |
Intermediate Similarity | 0.7432 | NPC477468 |
Intermediate Similarity | 0.7432 | NPC163087 |
Intermediate Similarity | 0.7431 | NPC232888 |
Intermediate Similarity | 0.7431 | NPC477367 |
Intermediate Similarity | 0.7429 | NPC477370 |
Intermediate Similarity | 0.7429 | NPC316553 |
Intermediate Similarity | 0.7424 | NPC215419 |
Intermediate Similarity | 0.7415 | NPC224491 |
Intermediate Similarity | 0.7415 | NPC16912 |
Intermediate Similarity | 0.7413 | NPC477364 |
Intermediate Similarity | 0.741 | NPC477363 |
Intermediate Similarity | 0.741 | NPC477366 |
Intermediate Similarity | 0.741 | NPC476599 |
Intermediate Similarity | 0.7405 | NPC143768 |
Intermediate Similarity | 0.7403 | NPC473670 |
Intermediate Similarity | 0.7403 | NPC228204 |
Intermediate Similarity | 0.7403 | NPC473611 |
Intermediate Similarity | 0.7403 | NPC26033 |
Intermediate Similarity | 0.7403 | NPC21410 |
Intermediate Similarity | 0.7397 | NPC475652 |
Intermediate Similarity | 0.7397 | NPC214550 |
Intermediate Similarity | 0.7397 | NPC210591 |
Intermediate Similarity | 0.7397 | NPC472395 |
Intermediate Similarity | 0.7397 | NPC472371 |
Intermediate Similarity | 0.7394 | NPC472361 |
Intermediate Similarity | 0.7394 | NPC476977 |
Intermediate Similarity | 0.7391 | NPC140118 |
Intermediate Similarity | 0.7391 | NPC8990 |
Intermediate Similarity | 0.7391 | NPC12881 |
Intermediate Similarity | 0.7391 | NPC325740 |
Intermediate Similarity | 0.7391 | NPC477362 |
Intermediate Similarity | 0.7388 | NPC94425 |
Intermediate Similarity | 0.7383 | NPC241951 |
Intermediate Similarity | 0.7383 | NPC475759 |
TTD   | DIB010129 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 575.30 |
ALogP   | -0.3737 |
MLogP   | 4.54 |
XLogP   | 7.347 |
HDA   | 7 |
HBD   | 1 |
Rotatable Bonds   | 13 |
TPSA   | 120.8 |
RO5 Violation   | 1 |