Drug ID:   | NPD7041 |
Drug Name:   | Mb07811 |
Molecular Formula:   | C28H32ClO5P |
Canonical SMILES:   | Clc1cccc(c1)[C@@H]1CCO[P@@](=O)(O1)COc1cc(C)c(c(c1)C)Cc1ccc(c(c1)C(C)C)O |
Standard InCHI:   | InChI=1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35+/m0/s1 |
Standard InCHIKey:   | LGGPZDRLTDGYSQ-JADSYQMUSA-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 |
---|---|---|
Intermediate Similarity | 0.7838 | NPC473107 |
Intermediate Similarity | 0.7808 | NPC254000 |
Intermediate Similarity | 0.7786 | NPC103916 |
Intermediate Similarity | 0.7755 | NPC282508 |
Intermediate Similarity | 0.7755 | NPC473309 |
Intermediate Similarity | 0.774 | NPC471518 |
Intermediate Similarity | 0.774 | NPC471519 |
Intermediate Similarity | 0.7708 | NPC4286 |
Intermediate Similarity | 0.7708 | NPC113495 |
Intermediate Similarity | 0.7708 | NPC76119 |
Intermediate Similarity | 0.766 | NPC260832 |
Intermediate Similarity | 0.766 | NPC135467 |
Intermediate Similarity | 0.7622 | NPC152946 |
Intermediate Similarity | 0.7616 | NPC471522 |
Intermediate Similarity | 0.7606 | NPC129176 |
Intermediate Similarity | 0.7603 | NPC186889 |
Intermediate Similarity | 0.7597 | NPC186033 |
Intermediate Similarity | 0.7571 | NPC25648 |
Intermediate Similarity | 0.7566 | NPC470307 |
Intermediate Similarity | 0.7566 | NPC470308 |
Intermediate Similarity | 0.7551 | NPC215300 |
Intermediate Similarity | 0.755 | NPC125579 |
Intermediate Similarity | 0.755 | NPC15109 |
Intermediate Similarity | 0.755 | NPC37410 |
Intermediate Similarity | 0.755 | NPC258780 |
Intermediate Similarity | 0.755 | NPC11727 |
Intermediate Similarity | 0.7536 | NPC141003 |
Intermediate Similarity | 0.7536 | NPC35344 |
Intermediate Similarity | 0.7534 | NPC170485 |
Intermediate Similarity | 0.7533 | NPC469610 |
Intermediate Similarity | 0.7517 | NPC8899 |
Intermediate Similarity | 0.7517 | NPC471517 |
Intermediate Similarity | 0.75 | NPC93962 |
Intermediate Similarity | 0.75 | NPC472648 |
Intermediate Similarity | 0.75 | NPC472647 |
Intermediate Similarity | 0.75 | NPC206525 |
Intermediate Similarity | 0.75 | NPC191462 |
Intermediate Similarity | 0.75 | NPC472649 |
Intermediate Similarity | 0.75 | NPC170328 |
Intermediate Similarity | 0.75 | NPC133463 |
Intermediate Similarity | 0.7483 | NPC53781 |
Intermediate Similarity | 0.7468 | NPC273623 |
Intermediate Similarity | 0.7467 | NPC85595 |
Intermediate Similarity | 0.7467 | NPC303144 |
Intermediate Similarity | 0.7467 | NPC469611 |
Intermediate Similarity | 0.7467 | NPC27578 |
Intermediate Similarity | 0.7467 | NPC289624 |
Intermediate Similarity | 0.7466 | NPC228771 |
Intermediate Similarity | 0.7466 | NPC133407 |
Intermediate Similarity | 0.7466 | NPC266705 |
Intermediate Similarity | 0.7466 | NPC28476 |
Intermediate Similarity | 0.7466 | NPC105031 |
Intermediate Similarity | 0.7466 | NPC29008 |
Intermediate Similarity | 0.7451 | NPC71465 |
Intermediate Similarity | 0.7451 | NPC472646 |
Intermediate Similarity | 0.7432 | NPC38664 |
Intermediate Similarity | 0.7432 | NPC38017 |
Intermediate Similarity | 0.7432 | NPC277458 |
Intermediate Similarity | 0.7432 | NPC307050 |
Intermediate Similarity | 0.7432 | NPC53986 |
Intermediate Similarity | 0.7431 | NPC476633 |
Intermediate Similarity | 0.7417 | NPC211352 |
Intermediate Similarity | 0.7405 | NPC274454 |
Intermediate Similarity | 0.7405 | NPC215678 |
Intermediate Similarity | 0.7403 | NPC32630 |
Intermediate Similarity | 0.74 | NPC12875 |
Intermediate Similarity | 0.74 | NPC206224 |
Intermediate Similarity | 0.74 | NPC150011 |
Intermediate Similarity | 0.74 | NPC129784 |
Intermediate Similarity | 0.74 | NPC236014 |
Intermediate Similarity | 0.74 | NPC280653 |
Intermediate Similarity | 0.74 | NPC293203 |
Intermediate Similarity | 0.74 | NPC164804 |
Intermediate Similarity | 0.74 | NPC237424 |
Intermediate Similarity | 0.74 | NPC271945 |
Intermediate Similarity | 0.74 | NPC68205 |
Intermediate Similarity | 0.74 | NPC17343 |
Intermediate Similarity | 0.74 | NPC181497 |
Intermediate Similarity | 0.74 | NPC238168 |
Intermediate Similarity | 0.74 | NPC196765 |
Intermediate Similarity | 0.74 | NPC118114 |
Intermediate Similarity | 0.74 | NPC15543 |
Intermediate Similarity | 0.74 | NPC129106 |
Intermediate Similarity | 0.74 | NPC300875 |
Intermediate Similarity | 0.74 | NPC164574 |
Intermediate Similarity | 0.74 | NPC211413 |
Intermediate Similarity | 0.74 | NPC153019 |
Intermediate Similarity | 0.74 | NPC476166 |
Intermediate Similarity | 0.74 | NPC118683 |
Intermediate Similarity | 0.74 | NPC244888 |
Intermediate Similarity | 0.74 | NPC268917 |
Intermediate Similarity | 0.74 | NPC228369 |
Intermediate Similarity | 0.74 | NPC207892 |
Intermediate Similarity | 0.7397 | NPC228503 |
Intermediate Similarity | 0.7397 | NPC138248 |
Intermediate Similarity | 0.7394 | NPC63010 |
Intermediate Similarity | 0.7389 | NPC473108 |
Intermediate Similarity | 0.7383 | NPC246991 |
Intermediate Similarity | 0.7379 | NPC30462 |
Intermediate Similarity | 0.7379 | NPC150026 |
Intermediate Similarity | 0.7379 | NPC57199 |
Intermediate Similarity | 0.7368 | NPC198154 |
Intermediate Similarity | 0.7368 | NPC476617 |
Intermediate Similarity | 0.7368 | NPC223008 |
Intermediate Similarity | 0.7368 | NPC311256 |
Intermediate Similarity | 0.7368 | NPC476615 |
Intermediate Similarity | 0.7368 | NPC115335 |
Intermediate Similarity | 0.7368 | NPC225696 |
Intermediate Similarity | 0.7368 | NPC476616 |
Intermediate Similarity | 0.7368 | NPC97834 |
Intermediate Similarity | 0.7368 | NPC296915 |
Intermediate Similarity | 0.7365 | NPC473221 |
Intermediate Similarity | 0.7361 | NPC102639 |
Intermediate Similarity | 0.7358 | NPC112819 |
Intermediate Similarity | 0.7358 | NPC6702 |
Intermediate Similarity | 0.7358 | NPC111134 |
Intermediate Similarity | 0.7358 | NPC153182 |
Intermediate Similarity | 0.7358 | NPC174251 |
Intermediate Similarity | 0.7358 | NPC133209 |
Intermediate Similarity | 0.7355 | NPC174787 |
Intermediate Similarity | 0.7355 | NPC182509 |
Intermediate Similarity | 0.7355 | NPC252901 |
Intermediate Similarity | 0.7355 | NPC213607 |
Intermediate Similarity | 0.7351 | NPC228843 |
Intermediate Similarity | 0.7351 | NPC189482 |
Intermediate Similarity | 0.7351 | NPC13005 |
Intermediate Similarity | 0.7347 | NPC285040 |
Intermediate Similarity | 0.7347 | NPC188022 |
Intermediate Similarity | 0.7347 | NPC9067 |
Intermediate Similarity | 0.7347 | NPC278955 |
Intermediate Similarity | 0.7347 | NPC81641 |
Intermediate Similarity | 0.7347 | NPC103420 |
Intermediate Similarity | 0.7347 | NPC102540 |
Intermediate Similarity | 0.7347 | NPC105718 |
Intermediate Similarity | 0.7347 | NPC17809 |
Intermediate Similarity | 0.7347 | NPC293801 |
Intermediate Similarity | 0.7343 | NPC151197 |
Intermediate Similarity | 0.7338 | NPC266006 |
Intermediate Similarity | 0.7333 | NPC470727 |
Intermediate Similarity | 0.7333 | NPC470225 |
Intermediate Similarity | 0.7333 | NPC27187 |
Intermediate Similarity | 0.7329 | NPC261992 |
Intermediate Similarity | 0.7325 | NPC469630 |
Intermediate Similarity | 0.732 | NPC313081 |
Intermediate Similarity | 0.7315 | NPC47288 |
Intermediate Similarity | 0.7315 | NPC274717 |
Intermediate Similarity | 0.7315 | NPC471064 |
Intermediate Similarity | 0.7315 | NPC223912 |
Intermediate Similarity | 0.7315 | NPC201069 |
Intermediate Similarity | 0.7312 | NPC212142 |
Intermediate Similarity | 0.731 | NPC251259 |
Intermediate Similarity | 0.7308 | NPC265075 |
Intermediate Similarity | 0.7305 | NPC147179 |
Intermediate Similarity | 0.7303 | NPC77196 |
Intermediate Similarity | 0.7303 | NPC24913 |
Intermediate Similarity | 0.7303 | NPC177712 |
Intermediate Similarity | 0.7303 | NPC138940 |
Intermediate Similarity | 0.7303 | NPC227719 |
Intermediate Similarity | 0.7299 | NPC75440 |
Intermediate Similarity | 0.7299 | NPC201959 |
Intermediate Similarity | 0.7297 | NPC50315 |
Intermediate Similarity | 0.7297 | NPC283049 |
Intermediate Similarity | 0.7297 | NPC276212 |
Intermediate Similarity | 0.7297 | NPC26879 |
Intermediate Similarity | 0.7297 | NPC82299 |
Intermediate Similarity | 0.7297 | NPC8058 |
Intermediate Similarity | 0.7297 | NPC470724 |
Intermediate Similarity | 0.7297 | NPC230479 |
Intermediate Similarity | 0.7296 | NPC471608 |
Intermediate Similarity | 0.729 | NPC132804 |
Intermediate Similarity | 0.729 | NPC275061 |
Intermediate Similarity | 0.729 | NPC220344 |
Intermediate Similarity | 0.729 | NPC243996 |
Intermediate Similarity | 0.729 | NPC184613 |
Intermediate Similarity | 0.7286 | NPC715 |
Intermediate Similarity | 0.7285 | NPC193334 |
Intermediate Similarity | 0.7285 | NPC472590 |
Intermediate Similarity | 0.7279 | NPC134195 |
Intermediate Similarity | 0.7279 | NPC61685 |
Intermediate Similarity | 0.7279 | NPC86502 |
Intermediate Similarity | 0.7279 | NPC248557 |
Intermediate Similarity | 0.7279 | NPC197351 |
Intermediate Similarity | 0.7279 | NPC246648 |
Intermediate Similarity | 0.7279 | NPC106914 |
Intermediate Similarity | 0.7278 | NPC50250 |
Intermediate Similarity | 0.7278 | NPC471065 |
Intermediate Similarity | 0.7278 | NPC473845 |
Intermediate Similarity | 0.7278 | NPC253015 |
Intermediate Similarity | 0.7273 | NPC68292 |
Intermediate Similarity | 0.7273 | NPC234952 |
Intermediate Similarity | 0.7273 | NPC141717 |
Intermediate Similarity | 0.7267 | NPC295573 |
Intermediate Similarity | 0.7267 | NPC107862 |
Intermediate Similarity | 0.7267 | NPC177172 |
Intermediate Similarity | 0.7267 | NPC148516 |
Intermediate Similarity | 0.7267 | NPC222108 |
Intermediate Similarity | 0.7267 | NPC96719 |
Intermediate Similarity | 0.7267 | NPC470208 |
Intermediate Similarity | 0.7267 | NPC180605 |
Intermediate Similarity | 0.7267 | NPC122980 |
Molecular Weight   | 514.17 |
ALogP   | 1.9073 |
MLogP   | 3.77 |
XLogP   | 7.888 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 13 |
TPSA   | 74.8 |
RO5 Violation   | 1 |