Drug ID:   | NPD4370 |
Drug Name:   | Prulifloxacin |
Molecular Formula:   | C21H20FN3O6S |
Canonical SMILES:   | O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C |
Standard InCHI:   | InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28) |
Standard InCHIKey:   | PWNMXPDKBYZCOO-UHFFFAOYSA-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 |
---|---|---|
Intermediate Similarity | 0.8249 | NPC318183 |
Intermediate Similarity | 0.8146 | NPC292265 |
Intermediate Similarity | 0.7475 | NPC329567 |
Intermediate Similarity | 0.7475 | NPC330683 |
Intermediate Similarity | 0.7344 | NPC316141 |
Remote Similarity | 0.6667 | NPC36495 |
Remote Similarity | 0.6597 | NPC293458 |
Remote Similarity | 0.6584 | NPC473815 |
Remote Similarity | 0.658 | NPC472114 |
Remote Similarity | 0.658 | NPC472115 |
Remote Similarity | 0.655 | NPC470317 |
Remote Similarity | 0.6545 | NPC474058 |
Remote Similarity | 0.6545 | NPC27904 |
Remote Similarity | 0.6534 | NPC314098 |
Remote Similarity | 0.6513 | NPC472118 |
Remote Similarity | 0.6477 | NPC328270 |
Remote Similarity | 0.6471 | NPC144691 |
Remote Similarity | 0.6462 | NPC223595 |
Remote Similarity | 0.6462 | NPC167724 |
Remote Similarity | 0.6462 | NPC224970 |
Remote Similarity | 0.644 | NPC123241 |
Remote Similarity | 0.644 | NPC61013 |
Remote Similarity | 0.6439 | NPC313293 |
Remote Similarity | 0.6437 | NPC472244 |
Remote Similarity | 0.6437 | NPC470343 |
Remote Similarity | 0.6436 | NPC97584 |
Remote Similarity | 0.6414 | NPC470548 |
Remote Similarity | 0.6406 | NPC193410 |
Remote Similarity | 0.64 | NPC6974 |
Remote Similarity | 0.6398 | NPC478039 |
Remote Similarity | 0.6392 | NPC204867 |
Remote Similarity | 0.6382 | NPC475607 |
Remote Similarity | 0.6378 | NPC314186 |
Remote Similarity | 0.6374 | NPC177684 |
Remote Similarity | 0.6374 | NPC291962 |
Remote Similarity | 0.6373 | NPC248117 |
Remote Similarity | 0.6368 | NPC475685 |
Remote Similarity | 0.6359 | NPC52059 |
Remote Similarity | 0.6359 | NPC470069 |
Remote Similarity | 0.6354 | NPC153694 |
Remote Similarity | 0.6354 | NPC211525 |
Remote Similarity | 0.635 | NPC474081 |
Remote Similarity | 0.6341 | NPC14994 |
Remote Similarity | 0.6337 | NPC258531 |
Remote Similarity | 0.6337 | NPC161956 |
Remote Similarity | 0.6337 | NPC112373 |
Remote Similarity | 0.6332 | NPC475594 |
Remote Similarity | 0.6324 | NPC478040 |
Remote Similarity | 0.6318 | NPC218594 |
Remote Similarity | 0.6318 | NPC99043 |
Remote Similarity | 0.6304 | NPC471164 |
Remote Similarity | 0.6304 | NPC43477 |
Remote Similarity | 0.6301 | NPC257490 |
Remote Similarity | 0.6292 | NPC194562 |
Remote Similarity | 0.6292 | NPC477432 |
Remote Similarity | 0.6278 | NPC475609 |
Remote Similarity | 0.6275 | NPC302235 |
Remote Similarity | 0.6263 | NPC154602 |
Remote Similarity | 0.6263 | NPC314223 |
Remote Similarity | 0.6257 | NPC316746 |
Remote Similarity | 0.625 | NPC469726 |
Remote Similarity | 0.625 | NPC472243 |
Remote Similarity | 0.625 | NPC329338 |
Remote Similarity | 0.6244 | NPC214960 |
Remote Similarity | 0.6244 | NPC279527 |
Remote Similarity | 0.6238 | NPC474041 |
Remote Similarity | 0.6238 | NPC202812 |
Remote Similarity | 0.6238 | NPC475761 |
Remote Similarity | 0.6237 | NPC243673 |
Remote Similarity | 0.6237 | NPC97380 |
Remote Similarity | 0.6237 | NPC63210 |
Remote Similarity | 0.6237 | NPC310403 |
Remote Similarity | 0.6237 | NPC263709 |
Remote Similarity | 0.6237 | NPC148468 |
Remote Similarity | 0.6226 | NPC265642 |
Remote Similarity | 0.6226 | NPC132874 |
Remote Similarity | 0.6226 | NPC218733 |
Remote Similarity | 0.6226 | NPC138615 |
Remote Similarity | 0.6225 | NPC159963 |
Remote Similarity | 0.6219 | NPC476441 |
Remote Similarity | 0.6215 | NPC98864 |
Remote Similarity | 0.6209 | NPC472116 |
Remote Similarity | 0.6209 | NPC472540 |
Remote Similarity | 0.6209 | NPC470787 |
Remote Similarity | 0.6209 | NPC472539 |
Remote Similarity | 0.6205 | NPC225319 |
Remote Similarity | 0.6203 | NPC470822 |
Remote Similarity | 0.6202 | NPC5630 |
Remote Similarity | 0.6201 | NPC314431 |
Remote Similarity | 0.62 | NPC276993 |
Remote Similarity | 0.62 | NPC293255 |
Remote Similarity | 0.62 | NPC210415 |
Remote Similarity | 0.62 | NPC181138 |
Remote Similarity | 0.62 | NPC21752 |
Remote Similarity | 0.62 | NPC298851 |
Remote Similarity | 0.6199 | NPC471741 |
Remote Similarity | 0.6198 | NPC478076 |
Remote Similarity | 0.6195 | NPC285923 |
Remote Similarity | 0.6195 | NPC471742 |
Remote Similarity | 0.6188 | NPC14849 |
Remote Similarity | 0.6188 | NPC186669 |
Remote Similarity | 0.6179 | NPC472541 |
Remote Similarity | 0.6179 | NPC472542 |
Remote Similarity | 0.6173 | NPC253667 |
Remote Similarity | 0.6173 | NPC476231 |
Remote Similarity | 0.6173 | NPC35510 |
Remote Similarity | 0.6173 | NPC472117 |
Remote Similarity | 0.6172 | NPC203628 |
Remote Similarity | 0.6171 | NPC39818 |
Remote Similarity | 0.6154 | NPC316405 |
Remote Similarity | 0.6154 | NPC253476 |
Remote Similarity | 0.6147 | NPC478075 |
Remote Similarity | 0.6145 | NPC150863 |
Remote Similarity | 0.6142 | NPC138293 |
Remote Similarity | 0.6142 | NPC189116 |
Remote Similarity | 0.6142 | NPC113056 |
Remote Similarity | 0.614 | NPC115588 |
Remote Similarity | 0.6139 | NPC264482 |
Remote Similarity | 0.6139 | NPC203202 |
Remote Similarity | 0.6132 | NPC303214 |
Remote Similarity | 0.6131 | NPC470971 |
Remote Similarity | 0.6129 | NPC470301 |
Remote Similarity | 0.6119 | NPC476425 |
Remote Similarity | 0.6111 | NPC472245 |
Remote Similarity | 0.6111 | NPC280807 |
Remote Similarity | 0.6108 | NPC319645 |
Remote Similarity | 0.6096 | NPC472241 |
Remote Similarity | 0.6092 | NPC226143 |
Remote Similarity | 0.6091 | NPC99632 |
Remote Similarity | 0.6091 | NPC282339 |
Remote Similarity | 0.6089 | NPC328611 |
Remote Similarity | 0.6087 | NPC52262 |
Remote Similarity | 0.6085 | NPC221687 |
Remote Similarity | 0.6085 | NPC472242 |
Remote Similarity | 0.6082 | NPC161827 |
Remote Similarity | 0.6082 | NPC473297 |
Remote Similarity | 0.608 | NPC182131 |
Remote Similarity | 0.6078 | NPC147298 |
Remote Similarity | 0.6078 | NPC475094 |
Remote Similarity | 0.6078 | NPC182057 |
Remote Similarity | 0.6078 | NPC131450 |
Remote Similarity | 0.6075 | NPC242933 |
Remote Similarity | 0.6075 | NPC248782 |
Remote Similarity | 0.6071 | NPC154478 |
Remote Similarity | 0.6065 | NPC232600 |
Remote Similarity | 0.6065 | NPC469732 |
Remote Similarity | 0.6062 | NPC285381 |
Remote Similarity | 0.6061 | NPC313757 |
Remote Similarity | 0.6059 | NPC151171 |
Remote Similarity | 0.6059 | NPC471743 |
Remote Similarity | 0.6057 | NPC179605 |
Remote Similarity | 0.6057 | NPC279385 |
Remote Similarity | 0.6056 | NPC97100 |
Remote Similarity | 0.6056 | NPC473375 |
Remote Similarity | 0.6055 | NPC473239 |
Remote Similarity | 0.6049 | NPC85613 |
Remote Similarity | 0.6049 | NPC5167 |
Remote Similarity | 0.6049 | NPC166169 |
Remote Similarity | 0.6049 | NPC298320 |
Remote Similarity | 0.604 | NPC177261 |
Remote Similarity | 0.603 | NPC471130 |
Remote Similarity | 0.603 | NPC299582 |
Remote Similarity | 0.6028 | NPC90967 |
Remote Similarity | 0.6023 | NPC103292 |
Remote Similarity | 0.6021 | NPC13470 |
Remote Similarity | 0.602 | NPC113946 |
Remote Similarity | 0.6019 | NPC25401 |
Remote Similarity | 0.6019 | NPC476428 |
Remote Similarity | 0.601 | NPC88970 |
Remote Similarity | 0.601 | NPC472121 |
Remote Similarity | 0.601 | NPC243756 |
Remote Similarity | 0.6 | NPC307437 |
Remote Similarity | 0.6 | NPC58827 |
Remote Similarity | 0.6 | NPC72473 |
Remote Similarity | 0.599 | NPC300596 |
Remote Similarity | 0.599 | NPC355 |
Remote Similarity | 0.599 | NPC237649 |
Remote Similarity | 0.5982 | NPC314648 |
Remote Similarity | 0.5979 | NPC308197 |
Remote Similarity | 0.5973 | NPC285192 |
Remote Similarity | 0.5972 | NPC471196 |
Remote Similarity | 0.5972 | NPC471195 |
Remote Similarity | 0.5969 | NPC84317 |
Remote Similarity | 0.5968 | NPC122553 |
Remote Similarity | 0.5963 | NPC1464 |
Remote Similarity | 0.596 | NPC93653 |
Remote Similarity | 0.5957 | NPC471574 |
Remote Similarity | 0.5955 | NPC246140 |
Remote Similarity | 0.5955 | NPC195787 |
Remote Similarity | 0.5951 | NPC127082 |
Remote Similarity | 0.595 | NPC471124 |
Remote Similarity | 0.5943 | NPC22476 |
Remote Similarity | 0.5936 | NPC295548 |
Remote Similarity | 0.5935 | NPC34717 |
Remote Similarity | 0.5931 | NPC248862 |
Remote Similarity | 0.5931 | NPC122886 |
Remote Similarity | 0.593 | NPC472101 |
Remote Similarity | 0.593 | NPC472120 |
Remote Similarity | 0.593 | NPC199737 |
Remote Similarity | 0.592 | NPC278887 |
Molecular Weight   | 461.11 |
ALogP   | 1.8925 |
MLogP   | 2.56 |
XLogP   | 2.675 |
HDA   | 9 |
HBD   | 1 |
Rotatable Bonds   | 8 |
TPSA   | 124.92 |
RO5 Violation   | 0 |