Drug ID:   | NPD7240 |
Drug Name:   | Etoposide Phosphate |
Molecular Formula:   | C29H33O16P |
Canonical SMILES:   | COc1cc(cc(c1OP(=O)(O)O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C |
Standard InCHI:   | InChI=1S/C29H33O16P/c1-11-38-9-20-27(42-11)23(30)24(31)29(43-20)44-25-14-7-17-16(40-10-41-17)6-13(14)21(22-15(25)8-39-28(22)32)12-4-18(36-2)26(19(5-12)37-3)45-46(33,34)35/h4-7,11,15,20-25,27,29-31H,8-10H2,1-3H3,(H2,33,34,35)/t11-,15+,20-,21-,22+,23-,24-,25-,27-,29+/m1/s1 |
Standard InCHIKey:   | LIQODXNTTZAGID-OCBXBXKTSA-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 | 0.9568 | NPC306475 |
High Similarity | 0.9441 | NPC100465 |
High Similarity | 0.9441 | NPC152424 |
High Similarity | 0.9394 | NPC179240 |
High Similarity | 0.939 | NPC185498 |
High Similarity | 0.9268 | NPC222531 |
High Similarity | 0.9207 | NPC116759 |
High Similarity | 0.9207 | NPC14294 |
High Similarity | 0.9202 | NPC115624 |
High Similarity | 0.9074 | NPC237946 |
High Similarity | 0.9074 | NPC32373 |
High Similarity | 0.9024 | NPC268718 |
High Similarity | 0.9024 | NPC150943 |
High Similarity | 0.9024 | NPC91634 |
High Similarity | 0.9018 | NPC207584 |
High Similarity | 0.9018 | NPC19947 |
High Similarity | 0.8909 | NPC96593 |
High Similarity | 0.8909 | NPC119910 |
High Similarity | 0.8889 | NPC245948 |
High Similarity | 0.8882 | NPC210642 |
High Similarity | 0.8882 | NPC13985 |
High Similarity | 0.8855 | NPC288149 |
High Similarity | 0.8788 | NPC163527 |
High Similarity | 0.8788 | NPC181168 |
High Similarity | 0.8788 | NPC115281 |
High Similarity | 0.872 | NPC273578 |
High Similarity | 0.872 | NPC30009 |
High Similarity | 0.872 | NPC103197 |
High Similarity | 0.8704 | NPC149505 |
High Similarity | 0.8659 | NPC65591 |
High Similarity | 0.8659 | NPC178574 |
High Similarity | 0.8634 | NPC304687 |
High Similarity | 0.8634 | NPC101755 |
High Similarity | 0.8634 | NPC80230 |
High Similarity | 0.8634 | NPC104024 |
High Similarity | 0.8634 | NPC65574 |
High Similarity | 0.8629 | NPC161609 |
High Similarity | 0.8629 | NPC275690 |
High Similarity | 0.8528 | NPC262455 |
High Similarity | 0.8528 | NPC177476 |
High Similarity | 0.8528 | NPC477698 |
Intermediate Similarity | 0.8494 | NPC136757 |
Intermediate Similarity | 0.8485 | NPC56184 |
Intermediate Similarity | 0.8483 | NPC167045 |
Intermediate Similarity | 0.8483 | NPC114120 |
Intermediate Similarity | 0.8476 | NPC158635 |
Intermediate Similarity | 0.8476 | NPC229882 |
Intermediate Similarity | 0.8448 | NPC312006 |
Intermediate Similarity | 0.8448 | NPC471920 |
Intermediate Similarity | 0.8448 | NPC20114 |
Intermediate Similarity | 0.8448 | NPC471921 |
Intermediate Similarity | 0.8448 | NPC471922 |
Intermediate Similarity | 0.8448 | NPC292712 |
Intermediate Similarity | 0.8448 | NPC114550 |
Intermediate Similarity | 0.8448 | NPC474075 |
Intermediate Similarity | 0.8448 | NPC129930 |
Intermediate Similarity | 0.8427 | NPC473776 |
Intermediate Similarity | 0.8427 | NPC473205 |
Intermediate Similarity | 0.8424 | NPC303519 |
Intermediate Similarity | 0.8424 | NPC164082 |
Intermediate Similarity | 0.8415 | NPC293757 |
Intermediate Similarity | 0.8415 | NPC474965 |
Intermediate Similarity | 0.8415 | NPC668 |
Intermediate Similarity | 0.8415 | NPC95392 |
Intermediate Similarity | 0.8415 | NPC35877 |
Intermediate Similarity | 0.8415 | NPC55715 |
Intermediate Similarity | 0.8415 | NPC174512 |
Intermediate Similarity | 0.8415 | NPC477695 |
Intermediate Similarity | 0.8402 | NPC241600 |
Intermediate Similarity | 0.8402 | NPC173726 |
Intermediate Similarity | 0.8389 | NPC286301 |
Intermediate Similarity | 0.8389 | NPC313063 |
Intermediate Similarity | 0.8373 | NPC302610 |
Intermediate Similarity | 0.8373 | NPC477699 |
Intermediate Similarity | 0.8364 | NPC182368 |
Intermediate Similarity | 0.8364 | NPC260781 |
Intermediate Similarity | 0.8364 | NPC145979 |
Intermediate Similarity | 0.8364 | NPC185955 |
Intermediate Similarity | 0.8364 | NPC469707 |
Intermediate Similarity | 0.8364 | NPC214326 |
Intermediate Similarity | 0.8364 | NPC469706 |
Intermediate Similarity | 0.8364 | NPC9933 |
Intermediate Similarity | 0.8364 | NPC225815 |
Intermediate Similarity | 0.8364 | NPC218041 |
Intermediate Similarity | 0.8364 | NPC24425 |
Intermediate Similarity | 0.8362 | NPC35266 |
Intermediate Similarity | 0.8361 | NPC476358 |
Intermediate Similarity | 0.8343 | NPC38438 |
Intermediate Similarity | 0.8343 | NPC473697 |
Intermediate Similarity | 0.8333 | NPC117911 |
Intermediate Similarity | 0.8333 | NPC186316 |
Intermediate Similarity | 0.8333 | NPC238834 |
Intermediate Similarity | 0.8324 | NPC174734 |
Intermediate Similarity | 0.8324 | NPC474042 |
Intermediate Similarity | 0.8323 | NPC245615 |
Intermediate Similarity | 0.8323 | NPC299706 |
Intermediate Similarity | 0.8323 | NPC61604 |
Intermediate Similarity | 0.8323 | NPC40237 |
Intermediate Similarity | 0.8323 | NPC115466 |
Intermediate Similarity | 0.8323 | NPC287124 |
Intermediate Similarity | 0.8323 | NPC151423 |
Intermediate Similarity | 0.8314 | NPC25889 |
Intermediate Similarity | 0.8313 | NPC477700 |
Intermediate Similarity | 0.8305 | NPC469397 |
Intermediate Similarity | 0.8303 | NPC216223 |
Intermediate Similarity | 0.8303 | NPC145569 |
Intermediate Similarity | 0.8284 | NPC478055 |
Intermediate Similarity | 0.8276 | NPC79322 |
Intermediate Similarity | 0.8274 | NPC348849 |
Intermediate Similarity | 0.8274 | NPC178195 |
Intermediate Similarity | 0.8268 | NPC188217 |
Intermediate Similarity | 0.8253 | NPC473989 |
Intermediate Similarity | 0.8249 | NPC475244 |
Intermediate Similarity | 0.8242 | NPC304821 |
Intermediate Similarity | 0.8242 | NPC40654 |
Intermediate Similarity | 0.8242 | NPC262804 |
Intermediate Similarity | 0.8235 | NPC471878 |
Intermediate Similarity | 0.8235 | NPC473803 |
Intermediate Similarity | 0.8232 | NPC212890 |
Intermediate Similarity | 0.8225 | NPC38699 |
Intermediate Similarity | 0.8221 | NPC92693 |
Intermediate Similarity | 0.8221 | NPC141569 |
Intermediate Similarity | 0.8221 | NPC166884 |
Intermediate Similarity | 0.8221 | NPC475000 |
Intermediate Similarity | 0.8221 | NPC477701 |
Intermediate Similarity | 0.8221 | NPC218841 |
Intermediate Similarity | 0.8218 | NPC83049 |
Intermediate Similarity | 0.8218 | NPC320471 |
Intermediate Similarity | 0.8218 | NPC59516 |
Intermediate Similarity | 0.8218 | NPC118162 |
Intermediate Similarity | 0.8214 | NPC474606 |
Intermediate Similarity | 0.8212 | NPC195114 |
Intermediate Similarity | 0.821 | NPC210354 |
Intermediate Similarity | 0.821 | NPC176586 |
Intermediate Similarity | 0.8204 | NPC32079 |
Intermediate Similarity | 0.8202 | NPC297574 |
Intermediate Similarity | 0.8202 | NPC472723 |
Intermediate Similarity | 0.8193 | NPC125570 |
Intermediate Similarity | 0.8192 | NPC184624 |
Intermediate Similarity | 0.8187 | NPC474043 |
Intermediate Similarity | 0.8176 | NPC163635 |
Intermediate Similarity | 0.8176 | NPC29727 |
Intermediate Similarity | 0.8171 | NPC475453 |
Intermediate Similarity | 0.8171 | NPC477702 |
Intermediate Similarity | 0.8171 | NPC473531 |
Intermediate Similarity | 0.8167 | NPC208797 |
Intermediate Similarity | 0.8167 | NPC53680 |
Intermediate Similarity | 0.8166 | NPC198461 |
Intermediate Similarity | 0.8166 | NPC312763 |
Intermediate Similarity | 0.8166 | NPC473425 |
Intermediate Similarity | 0.816 | NPC474288 |
Intermediate Similarity | 0.8156 | NPC260300 |
Intermediate Similarity | 0.8156 | NPC80360 |
Intermediate Similarity | 0.8155 | NPC471154 |
Intermediate Similarity | 0.8146 | NPC469354 |
Intermediate Similarity | 0.8146 | NPC193377 |
Intermediate Similarity | 0.8144 | NPC238140 |
Intermediate Similarity | 0.814 | NPC474770 |
Intermediate Similarity | 0.814 | NPC470637 |
Intermediate Similarity | 0.8136 | NPC469776 |
Intermediate Similarity | 0.8136 | NPC469774 |
Intermediate Similarity | 0.8136 | NPC469778 |
Intermediate Similarity | 0.8136 | NPC32723 |
Intermediate Similarity | 0.8136 | NPC469772 |
Intermediate Similarity | 0.8136 | NPC100925 |
Intermediate Similarity | 0.8136 | NPC469773 |
Intermediate Similarity | 0.8136 | NPC469775 |
Intermediate Similarity | 0.8136 | NPC469777 |
Intermediate Similarity | 0.8136 | NPC135334 |
Intermediate Similarity | 0.8136 | NPC295941 |
Intermediate Similarity | 0.8133 | NPC130449 |
Intermediate Similarity | 0.8133 | NPC270751 |
Intermediate Similarity | 0.8133 | NPC316676 |
Intermediate Similarity | 0.8133 | NPC325720 |
Intermediate Similarity | 0.8133 | NPC248132 |
Intermediate Similarity | 0.8121 | NPC205796 |
Intermediate Similarity | 0.8121 | NPC276753 |
Intermediate Similarity | 0.8121 | NPC193779 |
Intermediate Similarity | 0.8121 | NPC321958 |
Intermediate Similarity | 0.8121 | NPC321696 |
Intermediate Similarity | 0.8121 | NPC3982 |
Intermediate Similarity | 0.8118 | NPC234730 |
Intermediate Similarity | 0.8114 | NPC471923 |
Intermediate Similarity | 0.811 | NPC472712 |
Intermediate Similarity | 0.811 | NPC472713 |
Intermediate Similarity | 0.811 | NPC118385 |
Intermediate Similarity | 0.811 | NPC191158 |
Intermediate Similarity | 0.811 | NPC187774 |
Intermediate Similarity | 0.811 | NPC473046 |
Intermediate Similarity | 0.811 | NPC177644 |
Intermediate Similarity | 0.8107 | NPC473236 |
Intermediate Similarity | 0.8107 | NPC53669 |
Intermediate Similarity | 0.8107 | NPC16791 |
Intermediate Similarity | 0.8107 | NPC126405 |
Intermediate Similarity | 0.8107 | NPC217708 |
Intermediate Similarity | 0.8107 | NPC77237 |
Intermediate Similarity | 0.8107 | NPC308739 |
Intermediate Similarity | 0.8107 | NPC24562 |
Intermediate Similarity | 0.8107 | NPC297271 |
Intermediate Similarity | 0.8101 | NPC473713 |
Molecular Weight   | 668.15 |
ALogP   | -2.5061 |
MLogP   | 2.78 |
XLogP   | -1.03 |
HDA   | 11 |
HBD   | 4 |
Rotatable Bonds   | 14 |
TPSA   | 217.17 |
RO5 Violation   | 1 |