Drug ID:   | NPD5327 |
Drug Name:   | Promestriene |
Molecular Formula:   | C22H32O2 |
Canonical SMILES:   | CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC)C |
Standard InCHI:   | InChI=1S/C22H32O2/c1-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23-3/h6,8,14,18-21H,4-5,7,9-13H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1 |
Standard InCHIKey:   | IUWKNLFTJBHTSD-AANPDWTMSA-N |
Max Developmental Stage:   | Phase 3 |
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 | 0.9145 | NPC33900 |
High Similarity | 0.8548 | NPC475839 |
High Similarity | 0.8538 | NPC321502 |
High Similarity | 0.8525 | NPC164649 |
High Similarity | 0.8525 | NPC48342 |
High Similarity | 0.8512 | NPC312105 |
Intermediate Similarity | 0.848 | NPC152946 |
Intermediate Similarity | 0.8385 | NPC196193 |
Intermediate Similarity | 0.8385 | NPC249425 |
Intermediate Similarity | 0.837 | NPC221134 |
Intermediate Similarity | 0.832 | NPC328504 |
Intermediate Similarity | 0.8295 | NPC186889 |
Intermediate Similarity | 0.8293 | NPC25648 |
Intermediate Similarity | 0.8281 | NPC76119 |
Intermediate Similarity | 0.8281 | NPC4286 |
Intermediate Similarity | 0.8258 | NPC85595 |
Intermediate Similarity | 0.8254 | NPC142198 |
Intermediate Similarity | 0.8254 | NPC77569 |
Intermediate Similarity | 0.824 | NPC135467 |
Intermediate Similarity | 0.824 | NPC260832 |
Intermediate Similarity | 0.8182 | NPC153019 |
Intermediate Similarity | 0.812 | NPC289624 |
Intermediate Similarity | 0.812 | NPC27578 |
Intermediate Similarity | 0.8106 | NPC473048 |
Intermediate Similarity | 0.8099 | NPC470723 |
Intermediate Similarity | 0.8099 | NPC322753 |
Intermediate Similarity | 0.8095 | NPC68339 |
Intermediate Similarity | 0.8095 | NPC103916 |
Intermediate Similarity | 0.8092 | NPC47288 |
Intermediate Similarity | 0.8077 | NPC128321 |
Intermediate Similarity | 0.8065 | NPC137496 |
Intermediate Similarity | 0.8065 | NPC247858 |
Intermediate Similarity | 0.8065 | NPC474358 |
Intermediate Similarity | 0.8065 | NPC257540 |
Intermediate Similarity | 0.8065 | NPC154511 |
Intermediate Similarity | 0.8065 | NPC474387 |
Intermediate Similarity | 0.8062 | NPC248557 |
Intermediate Similarity | 0.8062 | NPC75432 |
Intermediate Similarity | 0.806 | NPC211352 |
Intermediate Similarity | 0.8047 | NPC476332 |
Intermediate Similarity | 0.8047 | NPC473464 |
Intermediate Similarity | 0.8047 | NPC321402 |
Intermediate Similarity | 0.8031 | NPC212559 |
Intermediate Similarity | 0.8028 | NPC95990 |
Intermediate Similarity | 0.8 | NPC17348 |
Intermediate Similarity | 0.7966 | NPC241224 |
Intermediate Similarity | 0.7955 | NPC223912 |
Intermediate Similarity | 0.7955 | NPC176590 |
Intermediate Similarity | 0.7953 | NPC99734 |
Intermediate Similarity | 0.7931 | NPC471576 |
Intermediate Similarity | 0.792 | NPC81067 |
Intermediate Similarity | 0.792 | NPC9341 |
Intermediate Similarity | 0.7907 | NPC30462 |
Intermediate Similarity | 0.7907 | NPC150026 |
Intermediate Similarity | 0.7895 | NPC288290 |
Intermediate Similarity | 0.7879 | NPC177167 |
Intermediate Similarity | 0.7879 | NPC98745 |
Intermediate Similarity | 0.7868 | NPC471942 |
Intermediate Similarity | 0.7863 | NPC124030 |
Intermediate Similarity | 0.7863 | NPC29008 |
Intermediate Similarity | 0.7863 | NPC228771 |
Intermediate Similarity | 0.7863 | NPC266705 |
Intermediate Similarity | 0.7845 | NPC470161 |
Intermediate Similarity | 0.784 | NPC147179 |
Intermediate Similarity | 0.784 | NPC283169 |
Intermediate Similarity | 0.784 | NPC47194 |
Intermediate Similarity | 0.7833 | NPC326801 |
Intermediate Similarity | 0.7829 | NPC475166 |
Intermediate Similarity | 0.7829 | NPC126935 |
Intermediate Similarity | 0.7829 | NPC216929 |
Intermediate Similarity | 0.7829 | NPC57268 |
Intermediate Similarity | 0.7829 | NPC172676 |
Intermediate Similarity | 0.7829 | NPC312713 |
Intermediate Similarity | 0.7829 | NPC65933 |
Intermediate Similarity | 0.7826 | NPC306365 |
Intermediate Similarity | 0.7823 | NPC165106 |
Intermediate Similarity | 0.782 | NPC201069 |
Intermediate Similarity | 0.782 | NPC307050 |
Intermediate Similarity | 0.782 | NPC277458 |
Intermediate Similarity | 0.7817 | NPC235195 |
Intermediate Similarity | 0.7817 | NPC19862 |
Intermediate Similarity | 0.7817 | NPC271607 |
Intermediate Similarity | 0.7817 | NPC280717 |
Intermediate Similarity | 0.781 | NPC252343 |
Intermediate Similarity | 0.7801 | NPC470273 |
Intermediate Similarity | 0.7797 | NPC300166 |
Intermediate Similarity | 0.7794 | NPC227719 |
Intermediate Similarity | 0.7794 | NPC469610 |
Intermediate Similarity | 0.7786 | NPC256015 |
Intermediate Similarity | 0.7786 | NPC294156 |
Intermediate Similarity | 0.7778 | NPC38893 |
Intermediate Similarity | 0.7778 | NPC219112 |
Intermediate Similarity | 0.7778 | NPC477137 |
Intermediate Similarity | 0.7778 | NPC474200 |
Intermediate Similarity | 0.7778 | NPC308828 |
Intermediate Similarity | 0.7778 | NPC308311 |
Intermediate Similarity | 0.7778 | NPC8899 |
Intermediate Similarity | 0.7769 | NPC188997 |
Intermediate Similarity | 0.776 | NPC268160 |
Intermediate Similarity | 0.7752 | NPC129176 |
Intermediate Similarity | 0.775 | NPC470393 |
Intermediate Similarity | 0.7744 | NPC262936 |
Intermediate Similarity | 0.7744 | NPC30491 |
Intermediate Similarity | 0.7744 | NPC100129 |
Intermediate Similarity | 0.7744 | NPC471077 |
Intermediate Similarity | 0.7737 | NPC473107 |
Intermediate Similarity | 0.7734 | NPC163036 |
Intermediate Similarity | 0.7734 | NPC234956 |
Intermediate Similarity | 0.7731 | NPC24327 |
Intermediate Similarity | 0.7731 | NPC12870 |
Intermediate Similarity | 0.773 | NPC186033 |
Intermediate Similarity | 0.7727 | NPC9067 |
Intermediate Similarity | 0.7727 | NPC81641 |
Intermediate Similarity | 0.7724 | NPC475852 |
Intermediate Similarity | 0.7721 | NPC469611 |
Intermediate Similarity | 0.7717 | NPC477136 |
Intermediate Similarity | 0.7714 | NPC76312 |
Intermediate Similarity | 0.7714 | NPC473049 |
Intermediate Similarity | 0.7714 | NPC472794 |
Intermediate Similarity | 0.771 | NPC261992 |
Intermediate Similarity | 0.7705 | NPC75440 |
Intermediate Similarity | 0.7705 | NPC11554 |
Intermediate Similarity | 0.7705 | NPC201959 |
Intermediate Similarity | 0.7698 | NPC192948 |
Intermediate Similarity | 0.7698 | NPC473264 |
Intermediate Similarity | 0.7698 | NPC35797 |
Intermediate Similarity | 0.7698 | NPC475815 |
Intermediate Similarity | 0.7692 | NPC48623 |
Intermediate Similarity | 0.7692 | NPC168707 |
Intermediate Similarity | 0.7681 | NPC93783 |
Intermediate Similarity | 0.7681 | NPC15109 |
Intermediate Similarity | 0.7681 | NPC11727 |
Intermediate Similarity | 0.7674 | NPC318552 |
Intermediate Similarity | 0.7674 | NPC190501 |
Intermediate Similarity | 0.7669 | NPC269598 |
Intermediate Similarity | 0.7669 | NPC170485 |
Intermediate Similarity | 0.7669 | NPC470724 |
Intermediate Similarity | 0.7667 | NPC108875 |
Intermediate Similarity | 0.7667 | NPC38079 |
Intermediate Similarity | 0.766 | NPC472791 |
Intermediate Similarity | 0.766 | NPC472792 |
Intermediate Similarity | 0.7656 | NPC474040 |
Intermediate Similarity | 0.7656 | NPC469609 |
Intermediate Similarity | 0.7656 | NPC471671 |
Intermediate Similarity | 0.7655 | NPC32017 |
Intermediate Similarity | 0.7655 | NPC96930 |
Intermediate Similarity | 0.7652 | NPC10154 |
Intermediate Similarity | 0.7652 | NPC34902 |
Intermediate Similarity | 0.7652 | NPC61685 |
Intermediate Similarity | 0.7652 | NPC18449 |
Intermediate Similarity | 0.7652 | NPC121783 |
Intermediate Similarity | 0.7652 | NPC265413 |
Intermediate Similarity | 0.7647 | NPC164295 |
Intermediate Similarity | 0.7643 | NPC76032 |
Intermediate Similarity | 0.7643 | NPC265335 |
Intermediate Similarity | 0.7643 | NPC132723 |
Intermediate Similarity | 0.7642 | NPC474272 |
Intermediate Similarity | 0.7639 | NPC471608 |
Intermediate Similarity | 0.7638 | NPC92 |
Intermediate Similarity | 0.7638 | NPC469663 |
Intermediate Similarity | 0.7634 | NPC478058 |
Intermediate Similarity | 0.7626 | NPC474610 |
Intermediate Similarity | 0.7626 | NPC68292 |
Intermediate Similarity | 0.7626 | NPC77861 |
Intermediate Similarity | 0.7623 | NPC258171 |
Intermediate Similarity | 0.7622 | NPC473575 |
Intermediate Similarity | 0.7622 | NPC473845 |
Intermediate Similarity | 0.7615 | NPC45663 |
Intermediate Similarity | 0.7615 | NPC21216 |
Intermediate Similarity | 0.7609 | NPC11266 |
Intermediate Similarity | 0.7603 | NPC292206 |
Intermediate Similarity | 0.7603 | NPC298647 |
Intermediate Similarity | 0.7603 | NPC273358 |
Intermediate Similarity | 0.7603 | NPC473855 |
Intermediate Similarity | 0.76 | NPC280760 |
Intermediate Similarity | 0.76 | NPC228425 |
Intermediate Similarity | 0.7597 | NPC172253 |
Intermediate Similarity | 0.7597 | NPC51341 |
Intermediate Similarity | 0.7597 | NPC474320 |
Intermediate Similarity | 0.7597 | NPC59561 |
Intermediate Similarity | 0.7597 | NPC471449 |
Intermediate Similarity | 0.7597 | NPC469644 |
Intermediate Similarity | 0.7594 | NPC252962 |
Intermediate Similarity | 0.7594 | NPC470726 |
Intermediate Similarity | 0.7591 | NPC227002 |
Intermediate Similarity | 0.7591 | NPC230219 |
Intermediate Similarity | 0.7591 | NPC472798 |
Intermediate Similarity | 0.7591 | NPC325568 |
Intermediate Similarity | 0.7591 | NPC51262 |
Intermediate Similarity | 0.7591 | NPC189482 |
Intermediate Similarity | 0.7586 | NPC471581 |
Intermediate Similarity | 0.7583 | NPC192596 |
Intermediate Similarity | 0.7581 | NPC141782 |
Intermediate Similarity | 0.7578 | NPC172219 |
Intermediate Similarity | 0.7578 | NPC304510 |
Intermediate Similarity | 0.7576 | NPC31344 |
Intermediate Similarity | 0.7576 | NPC317769 |
Intermediate Similarity | 0.7576 | NPC470887 |
Intermediate Similarity | 0.7569 | NPC90645 |
Intermediate Similarity | 0.7569 | NPC290038 |
TTD   | DIB013211 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 328.24 |
ALogP   | 0.0197 |
MLogP   | 3.66 |
XLogP   | 6.465 |
HDA   | 1 |
HBD   | 0 |
Rotatable Bonds   | 7 |
TPSA   | 18.46 |
RO5 Violation   | 1 |