Drug ID:   | NPD2431 |
Drug Name:   | Ciprofloxacin Hydrochloride |
Molecular Formula:   | C17H18FN3O3.ClH |
Canonical SMILES:   | Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1.Cl |
Standard InCHI:   | InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H |
Standard InCHIKey:   | DIOIOSKKIYDRIQ-UHFFFAOYSA-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 | 1.0 | NPC292265 |
High Similarity | 0.9012 | NPC318183 |
High Similarity | 0.8706 | NPC316141 |
Intermediate Similarity | 0.7544 | NPC36495 |
Intermediate Similarity | 0.7513 | NPC329567 |
Intermediate Similarity | 0.7513 | NPC330683 |
Intermediate Similarity | 0.7363 | NPC470317 |
Intermediate Similarity | 0.7356 | NPC293458 |
Intermediate Similarity | 0.7345 | NPC472118 |
Intermediate Similarity | 0.7191 | NPC167724 |
Intermediate Similarity | 0.7191 | NPC224970 |
Intermediate Similarity | 0.7191 | NPC223595 |
Intermediate Similarity | 0.7184 | NPC123241 |
Intermediate Similarity | 0.7184 | NPC61013 |
Intermediate Similarity | 0.7169 | NPC471164 |
Intermediate Similarity | 0.7158 | NPC202812 |
Intermediate Similarity | 0.7143 | NPC193410 |
Intermediate Similarity | 0.7128 | NPC313293 |
Intermediate Similarity | 0.7117 | NPC253476 |
Intermediate Similarity | 0.7102 | NPC248117 |
Intermediate Similarity | 0.7081 | NPC194562 |
Intermediate Similarity | 0.7066 | NPC43477 |
Intermediate Similarity | 0.7043 | NPC97584 |
Intermediate Similarity | 0.7037 | NPC314098 |
Intermediate Similarity | 0.7024 | NPC472241 |
Intermediate Similarity | 0.7022 | NPC113056 |
Intermediate Similarity | 0.7022 | NPC138293 |
Intermediate Similarity | 0.7011 | NPC99043 |
Intermediate Similarity | 0.7011 | NPC218594 |
Intermediate Similarity | 0.7006 | NPC27904 |
Intermediate Similarity | 0.7006 | NPC242933 |
Remote Similarity | 0.6957 | NPC72473 |
Remote Similarity | 0.6957 | NPC58827 |
Remote Similarity | 0.6957 | NPC307437 |
Remote Similarity | 0.6943 | NPC279385 |
Remote Similarity | 0.6943 | NPC179605 |
Remote Similarity | 0.6937 | NPC472244 |
Remote Similarity | 0.6937 | NPC470343 |
Remote Similarity | 0.6905 | NPC472243 |
Remote Similarity | 0.6901 | NPC472242 |
Remote Similarity | 0.6899 | NPC103292 |
Remote Similarity | 0.6879 | NPC291962 |
Remote Similarity | 0.6879 | NPC177684 |
Remote Similarity | 0.6865 | NPC14849 |
Remote Similarity | 0.6862 | NPC471742 |
Remote Similarity | 0.6851 | NPC214960 |
Remote Similarity | 0.6851 | NPC279527 |
Remote Similarity | 0.6848 | NPC329338 |
Remote Similarity | 0.6848 | NPC328611 |
Remote Similarity | 0.6848 | NPC469726 |
Remote Similarity | 0.6839 | NPC144691 |
Remote Similarity | 0.6835 | NPC112373 |
Remote Similarity | 0.6835 | NPC161956 |
Remote Similarity | 0.6835 | NPC258531 |
Remote Similarity | 0.6828 | NPC131450 |
Remote Similarity | 0.6828 | NPC147298 |
Remote Similarity | 0.6828 | NPC182057 |
Remote Similarity | 0.6816 | NPC474058 |
Remote Similarity | 0.6811 | NPC264482 |
Remote Similarity | 0.6811 | NPC203202 |
Remote Similarity | 0.6792 | NPC257490 |
Remote Similarity | 0.6778 | NPC99632 |
Remote Similarity | 0.6778 | NPC282339 |
Remote Similarity | 0.6774 | NPC186669 |
Remote Similarity | 0.6771 | NPC5630 |
Remote Similarity | 0.6768 | NPC472245 |
Remote Similarity | 0.6763 | NPC478039 |
Remote Similarity | 0.6754 | NPC14994 |
Remote Similarity | 0.675 | NPC268534 |
Remote Similarity | 0.674 | NPC189116 |
Remote Similarity | 0.674 | NPC204867 |
Remote Similarity | 0.6738 | NPC6974 |
Remote Similarity | 0.6737 | NPC52262 |
Remote Similarity | 0.6736 | NPC203628 |
Remote Similarity | 0.6727 | NPC316746 |
Remote Similarity | 0.672 | NPC471743 |
Remote Similarity | 0.672 | NPC159963 |
Remote Similarity | 0.6707 | NPC316104 |
Remote Similarity | 0.6707 | NPC162417 |
Remote Similarity | 0.6705 | NPC314223 |
Remote Similarity | 0.6705 | NPC154602 |
Remote Similarity | 0.6686 | NPC237649 |
Remote Similarity | 0.6686 | NPC300596 |
Remote Similarity | 0.6685 | NPC472117 |
Remote Similarity | 0.6684 | NPC285923 |
Remote Similarity | 0.6684 | NPC303214 |
Remote Similarity | 0.6667 | NPC173295 |
Remote Similarity | 0.6667 | NPC182131 |
Remote Similarity | 0.6667 | NPC314431 |
Remote Similarity | 0.6667 | NPC472115 |
Remote Similarity | 0.6667 | NPC472114 |
Remote Similarity | 0.6667 | NPC470548 |
Remote Similarity | 0.6667 | NPC248862 |
Remote Similarity | 0.6647 | NPC314186 |
Remote Similarity | 0.6646 | NPC39818 |
Remote Similarity | 0.663 | NPC309531 |
Remote Similarity | 0.663 | NPC472102 |
Remote Similarity | 0.6606 | NPC150863 |
Remote Similarity | 0.6585 | NPC322433 |
Remote Similarity | 0.658 | NPC473815 |
Remote Similarity | 0.6573 | NPC285381 |
Remote Similarity | 0.6566 | NPC280807 |
Remote Similarity | 0.6562 | NPC226143 |
Remote Similarity | 0.6552 | NPC136002 |
Remote Similarity | 0.6552 | NPC130797 |
Remote Similarity | 0.6546 | NPC316405 |
Remote Similarity | 0.6543 | NPC476441 |
Remote Similarity | 0.6543 | NPC475607 |
Remote Similarity | 0.6541 | NPC470971 |
Remote Similarity | 0.6536 | NPC478076 |
Remote Similarity | 0.6522 | NPC150323 |
Remote Similarity | 0.6522 | NPC471130 |
Remote Similarity | 0.6517 | NPC232600 |
Remote Similarity | 0.6508 | NPC474081 |
Remote Similarity | 0.6506 | NPC209389 |
Remote Similarity | 0.6503 | NPC472121 |
Remote Similarity | 0.6503 | NPC88970 |
Remote Similarity | 0.6489 | NPC475594 |
Remote Similarity | 0.6484 | NPC154478 |
Remote Similarity | 0.648 | NPC25401 |
Remote Similarity | 0.6474 | NPC474041 |
Remote Similarity | 0.6474 | NPC2823 |
Remote Similarity | 0.6474 | NPC475094 |
Remote Similarity | 0.6474 | NPC475761 |
Remote Similarity | 0.6465 | NPC220151 |
Remote Similarity | 0.6465 | NPC19692 |
Remote Similarity | 0.6464 | NPC84317 |
Remote Similarity | 0.6453 | NPC319645 |
Remote Similarity | 0.645 | NPC265642 |
Remote Similarity | 0.645 | NPC138615 |
Remote Similarity | 0.645 | NPC132874 |
Remote Similarity | 0.645 | NPC218733 |
Remote Similarity | 0.6448 | NPC225319 |
Remote Similarity | 0.6439 | NPC478075 |
Remote Similarity | 0.6436 | NPC471944 |
Remote Similarity | 0.6436 | NPC177261 |
Remote Similarity | 0.642 | NPC130931 |
Remote Similarity | 0.6419 | NPC115588 |
Remote Similarity | 0.6396 | NPC22476 |
Remote Similarity | 0.639 | NPC225400 |
Remote Similarity | 0.6379 | NPC471574 |
Remote Similarity | 0.6379 | NPC316202 |
Remote Similarity | 0.6378 | NPC175474 |
Remote Similarity | 0.6369 | NPC473329 |
Remote Similarity | 0.6369 | NPC13526 |
Remote Similarity | 0.6369 | NPC477432 |
Remote Similarity | 0.6364 | NPC192533 |
Remote Similarity | 0.6359 | NPC470786 |
Remote Similarity | 0.6359 | NPC472538 |
Remote Similarity | 0.6359 | NPC471155 |
Remote Similarity | 0.6354 | NPC298320 |
Remote Similarity | 0.635 | NPC472539 |
Remote Similarity | 0.635 | NPC470787 |
Remote Similarity | 0.635 | NPC472540 |
Remote Similarity | 0.6349 | NPC476425 |
Remote Similarity | 0.6344 | NPC52059 |
Remote Similarity | 0.6344 | NPC470069 |
Remote Similarity | 0.6339 | NPC153694 |
Remote Similarity | 0.6339 | NPC211525 |
Remote Similarity | 0.6339 | NPC113946 |
Remote Similarity | 0.6337 | NPC106118 |
Remote Similarity | 0.6333 | NPC243756 |
Remote Similarity | 0.6329 | NPC285192 |
Remote Similarity | 0.6329 | NPC270241 |
Remote Similarity | 0.6325 | NPC205946 |
Remote Similarity | 0.6324 | NPC176983 |
Remote Similarity | 0.6324 | NPC476231 |
Remote Similarity | 0.6323 | NPC151171 |
Remote Similarity | 0.6322 | NPC130251 |
Remote Similarity | 0.6318 | NPC472542 |
Remote Similarity | 0.6318 | NPC90967 |
Remote Similarity | 0.6318 | NPC472541 |
Remote Similarity | 0.6303 | NPC254698 |
Remote Similarity | 0.6301 | NPC287358 |
Remote Similarity | 0.6301 | NPC122553 |
Remote Similarity | 0.6298 | NPC117032 |
Remote Similarity | 0.6292 | NPC264589 |
Remote Similarity | 0.6279 | NPC300299 |
Remote Similarity | 0.6275 | NPC98864 |
Remote Similarity | 0.6269 | NPC475685 |
Remote Similarity | 0.6269 | NPC472116 |
Remote Similarity | 0.6262 | NPC87714 |
Remote Similarity | 0.625 | NPC217372 |
Remote Similarity | 0.625 | NPC15573 |
Remote Similarity | 0.625 | NPC183662 |
Remote Similarity | 0.6237 | NPC472101 |
Remote Similarity | 0.6237 | NPC472120 |
Remote Similarity | 0.6237 | NPC253667 |
Remote Similarity | 0.6237 | NPC199737 |
Remote Similarity | 0.6237 | NPC476428 |
Remote Similarity | 0.6237 | NPC35510 |
Remote Similarity | 0.623 | NPC473297 |
Remote Similarity | 0.6221 | NPC229893 |
Remote Similarity | 0.6219 | NPC34717 |
Remote Similarity | 0.6218 | NPC219336 |
Remote Similarity | 0.6216 | NPC310403 |
Remote Similarity | 0.6216 | NPC263709 |
Remote Similarity | 0.6216 | NPC148468 |
Remote Similarity | 0.6216 | NPC97380 |
Remote Similarity | 0.6216 | NPC243673 |
Molecular Weight   | 331.13 |
ALogP   | -1.2467 |
MLogP   | 2.56 |
XLogP   | 1.988 |
HDA   | 6 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 72.88 |
RO5 Violation   | 0 |