Drug ID:   | NPD7515 |
Drug Name:   | Enoxolone |
Molecular Formula:   | C30H46O4 |
Canonical SMILES:   | O=C1C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@]2([C@]2([C@H]1[C@@]1(C)CC[C@@H](C([C@@H]1CC2)(C)C)O)C)C)C(=O)O |
Standard InCHI:   | InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 |
Standard InCHIKey:   | MPDGHEJMBKOTSU-YKLVYJNSSA-N |
Max Developmental Stage:   | Phase 2 |
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 | 1.0 | NPC145067 |
High Similarity | 1.0 | NPC158030 |
High Similarity | 1.0 | NPC4036 |
High Similarity | 1.0 | NPC233455 |
High Similarity | 1.0 | NPC65120 |
High Similarity | 0.9884 | NPC214756 |
High Similarity | 0.9884 | NPC272075 |
High Similarity | 0.9884 | NPC295643 |
High Similarity | 0.9659 | NPC139570 |
High Similarity | 0.9659 | NPC148523 |
High Similarity | 0.9651 | NPC291028 |
High Similarity | 0.9647 | NPC182797 |
High Similarity | 0.9647 | NPC52169 |
High Similarity | 0.9551 | NPC98874 |
High Similarity | 0.9545 | NPC74751 |
High Similarity | 0.954 | NPC105189 |
High Similarity | 0.954 | NPC474525 |
High Similarity | 0.9535 | NPC225585 |
High Similarity | 0.9535 | NPC234346 |
High Similarity | 0.9535 | NPC127689 |
High Similarity | 0.9535 | NPC121798 |
High Similarity | 0.9535 | NPC263393 |
High Similarity | 0.9535 | NPC59263 |
High Similarity | 0.9535 | NPC274330 |
High Similarity | 0.9535 | NPC270768 |
High Similarity | 0.9535 | NPC143232 |
High Similarity | 0.9535 | NPC293048 |
High Similarity | 0.9535 | NPC290972 |
High Similarity | 0.9535 | NPC61543 |
High Similarity | 0.9535 | NPC25906 |
High Similarity | 0.9535 | NPC198664 |
High Similarity | 0.9535 | NPC64872 |
High Similarity | 0.9535 | NPC130520 |
High Similarity | 0.9529 | NPC130577 |
High Similarity | 0.9529 | NPC98442 |
High Similarity | 0.9529 | NPC293564 |
High Similarity | 0.9529 | NPC88716 |
High Similarity | 0.9529 | NPC142415 |
High Similarity | 0.9529 | NPC68160 |
High Similarity | 0.9529 | NPC307426 |
High Similarity | 0.9529 | NPC171203 |
High Similarity | 0.9529 | NPC102683 |
High Similarity | 0.9529 | NPC51700 |
High Similarity | 0.9529 | NPC242468 |
High Similarity | 0.9529 | NPC18064 |
High Similarity | 0.9425 | NPC120968 |
High Similarity | 0.9425 | NPC470589 |
High Similarity | 0.9425 | NPC227467 |
High Similarity | 0.9425 | NPC210037 |
High Similarity | 0.9425 | NPC477872 |
High Similarity | 0.9425 | NPC111110 |
High Similarity | 0.9425 | NPC18872 |
High Similarity | 0.9425 | NPC7260 |
High Similarity | 0.9425 | NPC273621 |
High Similarity | 0.9425 | NPC46441 |
High Similarity | 0.9425 | NPC290614 |
High Similarity | 0.9425 | NPC126369 |
High Similarity | 0.9425 | NPC193750 |
High Similarity | 0.9425 | NPC130278 |
High Similarity | 0.9419 | NPC246708 |
High Similarity | 0.9419 | NPC290690 |
High Similarity | 0.9419 | NPC470629 |
High Similarity | 0.9419 | NPC473242 |
High Similarity | 0.9419 | NPC17733 |
High Similarity | 0.9419 | NPC40552 |
High Similarity | 0.9419 | NPC474512 |
High Similarity | 0.9419 | NPC181225 |
High Similarity | 0.9412 | NPC72638 |
High Similarity | 0.9341 | NPC471966 |
High Similarity | 0.9326 | NPC474529 |
High Similarity | 0.9318 | NPC235884 |
High Similarity | 0.9318 | NPC966 |
High Similarity | 0.9318 | NPC472149 |
High Similarity | 0.9318 | NPC25299 |
High Similarity | 0.9318 | NPC6255 |
High Similarity | 0.9318 | NPC155120 |
High Similarity | 0.9318 | NPC282616 |
High Similarity | 0.9318 | NPC52021 |
High Similarity | 0.9318 | NPC84319 |
High Similarity | 0.9318 | NPC38754 |
High Similarity | 0.9318 | NPC187722 |
High Similarity | 0.9318 | NPC228784 |
High Similarity | 0.9318 | NPC471588 |
High Similarity | 0.9318 | NPC288833 |
High Similarity | 0.9318 | NPC324341 |
High Similarity | 0.9318 | NPC71074 |
High Similarity | 0.9318 | NPC300351 |
High Similarity | 0.9318 | NPC306541 |
High Similarity | 0.931 | NPC474972 |
High Similarity | 0.931 | NPC161751 |
High Similarity | 0.931 | NPC95246 |
High Similarity | 0.931 | NPC470588 |
High Similarity | 0.9294 | NPC133954 |
High Similarity | 0.9231 | NPC26413 |
High Similarity | 0.9213 | NPC86368 |
High Similarity | 0.9213 | NPC158059 |
High Similarity | 0.9213 | NPC275809 |
High Similarity | 0.9213 | NPC74855 |
High Similarity | 0.9213 | NPC307335 |
High Similarity | 0.9213 | NPC229281 |
High Similarity | 0.9213 | NPC298554 |
High Similarity | 0.9213 | NPC136313 |
High Similarity | 0.9213 | NPC118519 |
High Similarity | 0.9213 | NPC202728 |
High Similarity | 0.9213 | NPC118490 |
High Similarity | 0.9205 | NPC86372 |
High Similarity | 0.9205 | NPC474728 |
High Similarity | 0.9205 | NPC172361 |
High Similarity | 0.9205 | NPC49320 |
High Similarity | 0.9205 | NPC113989 |
High Similarity | 0.9205 | NPC120840 |
High Similarity | 0.9186 | NPC74363 |
High Similarity | 0.9186 | NPC213412 |
High Similarity | 0.9186 | NPC475862 |
High Similarity | 0.9176 | NPC96095 |
High Similarity | 0.9121 | NPC157113 |
High Similarity | 0.9121 | NPC472806 |
High Similarity | 0.9121 | NPC167193 |
High Similarity | 0.9121 | NPC62516 |
High Similarity | 0.9111 | NPC32407 |
High Similarity | 0.9111 | NPC231063 |
High Similarity | 0.9111 | NPC20235 |
High Similarity | 0.9111 | NPC263548 |
High Similarity | 0.9111 | NPC299996 |
High Similarity | 0.9111 | NPC209868 |
High Similarity | 0.9111 | NPC145667 |
High Similarity | 0.9111 | NPC282395 |
High Similarity | 0.9111 | NPC159365 |
High Similarity | 0.9111 | NPC88116 |
High Similarity | 0.9111 | NPC114159 |
High Similarity | 0.9111 | NPC191412 |
High Similarity | 0.9111 | NPC6818 |
High Similarity | 0.9111 | NPC222047 |
High Similarity | 0.9111 | NPC91010 |
High Similarity | 0.9101 | NPC285184 |
High Similarity | 0.9101 | NPC60755 |
High Similarity | 0.9101 | NPC470590 |
High Similarity | 0.9101 | NPC77099 |
High Similarity | 0.9101 | NPC475708 |
High Similarity | 0.9091 | NPC30522 |
High Similarity | 0.9091 | NPC281524 |
High Similarity | 0.9091 | NPC474686 |
High Similarity | 0.908 | NPC158141 |
High Similarity | 0.908 | NPC173089 |
High Similarity | 0.908 | NPC73064 |
High Similarity | 0.908 | NPC71507 |
High Similarity | 0.9022 | NPC89225 |
High Similarity | 0.9011 | NPC474727 |
High Similarity | 0.9011 | NPC96916 |
High Similarity | 0.9011 | NPC473240 |
High Similarity | 0.9011 | NPC198245 |
High Similarity | 0.9 | NPC49776 |
High Similarity | 0.9 | NPC474806 |
High Similarity | 0.9 | NPC474436 |
High Similarity | 0.9 | NPC63118 |
High Similarity | 0.9 | NPC133579 |
High Similarity | 0.8977 | NPC230387 |
High Similarity | 0.8977 | NPC474511 |
High Similarity | 0.8977 | NPC1753 |
High Similarity | 0.8977 | NPC472802 |
High Similarity | 0.8966 | NPC73038 |
High Similarity | 0.8966 | NPC158393 |
High Similarity | 0.8966 | NPC235341 |
High Similarity | 0.8966 | NPC477579 |
High Similarity | 0.8966 | NPC56588 |
High Similarity | 0.8966 | NPC95594 |
High Similarity | 0.8953 | NPC180834 |
High Similarity | 0.8953 | NPC171789 |
High Similarity | 0.8913 | NPC132824 |
High Similarity | 0.8913 | NPC158371 |
High Similarity | 0.8913 | NPC73004 |
High Similarity | 0.8913 | NPC327179 |
High Similarity | 0.8913 | NPC173744 |
High Similarity | 0.8913 | NPC19376 |
High Similarity | 0.8913 | NPC230151 |
High Similarity | 0.8913 | NPC305464 |
High Similarity | 0.8913 | NPC25848 |
High Similarity | 0.8913 | NPC476327 |
High Similarity | 0.8913 | NPC116457 |
High Similarity | 0.8913 | NPC259733 |
High Similarity | 0.8913 | NPC204961 |
High Similarity | 0.8913 | NPC307282 |
High Similarity | 0.8913 | NPC476318 |
High Similarity | 0.8913 | NPC207922 |
High Similarity | 0.8913 | NPC201657 |
High Similarity | 0.8901 | NPC80365 |
High Similarity | 0.8901 | NPC60692 |
High Similarity | 0.8901 | NPC296164 |
High Similarity | 0.8901 | NPC23170 |
High Similarity | 0.8901 | NPC78580 |
High Similarity | 0.8901 | NPC188102 |
High Similarity | 0.8901 | NPC184006 |
High Similarity | 0.8901 | NPC148964 |
High Similarity | 0.8901 | NPC23621 |
High Similarity | 0.8901 | NPC87095 |
High Similarity | 0.8889 | NPC301244 |
High Similarity | 0.8876 | NPC69627 |
High Similarity | 0.8876 | NPC477973 |
High Similarity | 0.8864 | NPC162107 |
High Similarity | 0.8864 | NPC46912 |
Molecular Weight   | 470.34 |
ALogP   | 1.6831 |
MLogP   | 4.32 |
XLogP   | 6.745 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 10 |
TPSA   | 74.6 |
RO5 Violation   | 1 |