Drug Information

Drug ID:  NPD2912
Drug Name:  Gemifloxacin
Molecular Formula:  C18H20FN5O4
Canonical SMILES:  NCC1CN(C/C/1=NOC)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
Standard InCHI:  InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+
Standard InCHIKey:  ZRCVYEYHRGVLOC-HYARGMPZSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2912

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.


  Similar Natural Products

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 0.8378 NPC285923
Intermediate Similarity 0.7108 NPC202812
Remote Similarity 0.6888 NPC292265
Remote Similarity 0.6822 NPC243850
Remote Similarity 0.6804 NPC177996
Remote Similarity 0.6804 NPC147983
Remote Similarity 0.6746 NPC472293
Remote Similarity 0.6743 NPC153980
Remote Similarity 0.6743 NPC6865
Remote Similarity 0.6697 NPC72956
Remote Similarity 0.6667 NPC46895
Remote Similarity 0.6652 NPC471192
Remote Similarity 0.6651 NPC472297
Remote Similarity 0.6651 NPC81802
Remote Similarity 0.6651 NPC247735
Remote Similarity 0.6651 NPC472296
Remote Similarity 0.6651 NPC472295
Remote Similarity 0.6651 NPC269886
Remote Similarity 0.6651 NPC472210
Remote Similarity 0.6634 NPC316141
Remote Similarity 0.662 NPC471191
Remote Similarity 0.6619 NPC220151
Remote Similarity 0.6619 NPC19692
Remote Similarity 0.6603 NPC472292
Remote Similarity 0.6591 NPC471193
Remote Similarity 0.6591 NPC471194
Remote Similarity 0.6553 NPC476341
Remote Similarity 0.6538 NPC175474
Remote Similarity 0.652 NPC61011
Remote Similarity 0.6512 NPC98864
Remote Similarity 0.6509 NPC472116
Remote Similarity 0.6507 NPC314333
Remote Similarity 0.6468 NPC318183
Remote Similarity 0.6449 NPC248782
Remote Similarity 0.6438 NPC472538
Remote Similarity 0.6438 NPC471155
Remote Similarity 0.6435 NPC471944
Remote Similarity 0.6425 NPC21429
Remote Similarity 0.6422 NPC473376
Remote Similarity 0.6422 NPC83774
Remote Similarity 0.6419 NPC103361
Remote Similarity 0.6419 NPC241024
Remote Similarity 0.6411 NPC472323
Remote Similarity 0.641 NPC209362
Remote Similarity 0.6409 NPC270241
Remote Similarity 0.6393 NPC225400
Remote Similarity 0.6385 NPC135950
Remote Similarity 0.6382 NPC74619
Remote Similarity 0.6381 NPC196251
Remote Similarity 0.6381 NPC63199
Remote Similarity 0.6381 NPC111602
Remote Similarity 0.6381 NPC102338
Remote Similarity 0.6377 NPC159125
Remote Similarity 0.6372 NPC52557
Remote Similarity 0.6368 NPC55493
Remote Similarity 0.6364 NPC470786
Remote Similarity 0.6355 NPC79356
Remote Similarity 0.6355 NPC245916
Remote Similarity 0.6355 NPC102592
Remote Similarity 0.6351 NPC329858
Remote Similarity 0.6339 NPC54744
Remote Similarity 0.6338 NPC267343
Remote Similarity 0.6332 NPC220851
Remote Similarity 0.6329 NPC113626
Remote Similarity 0.6326 NPC473814
Remote Similarity 0.6326 NPC78767
Remote Similarity 0.6321 NPC117244
Remote Similarity 0.6321 NPC473763
Remote Similarity 0.6313 NPC49196
Remote Similarity 0.6313 NPC195461
Remote Similarity 0.6313 NPC81654
Remote Similarity 0.6313 NPC79129
Remote Similarity 0.6313 NPC249150
Remote Similarity 0.6313 NPC313985
Remote Similarity 0.6311 NPC219336
Remote Similarity 0.6308 NPC93390
Remote Similarity 0.6308 NPC70406
Remote Similarity 0.6302 NPC467188
Remote Similarity 0.6296 NPC50503
Remote Similarity 0.6296 NPC102008
Remote Similarity 0.6289 NPC123906
Remote Similarity 0.6287 NPC46359
Remote Similarity 0.6286 NPC141612
Remote Similarity 0.6286 NPC17273
Remote Similarity 0.6286 NPC235684
Remote Similarity 0.6286 NPC135601
Remote Similarity 0.6283 NPC62995
Remote Similarity 0.628 NPC15840
Remote Similarity 0.6278 NPC187255
Remote Similarity 0.6276 NPC251391
Remote Similarity 0.6274 NPC469489
Remote Similarity 0.6274 NPC472112
Remote Similarity 0.6274 NPC154339
Remote Similarity 0.6273 NPC473239
Remote Similarity 0.6273 NPC314648
Remote Similarity 0.6268 NPC470003
Remote Similarity 0.6267 NPC472291
Remote Similarity 0.6263 NPC213914
Remote Similarity 0.6262 NPC217372
Remote Similarity 0.6262 NPC15573
Remote Similarity 0.6262 NPC183662
Remote Similarity 0.6261 NPC116555
Remote Similarity 0.6256 NPC471197
Remote Similarity 0.6256 NPC143977
Remote Similarity 0.6256 NPC473815
Remote Similarity 0.6256 NPC278434
Remote Similarity 0.6255 NPC89987
Remote Similarity 0.6245 NPC471536
Remote Similarity 0.6244 NPC248862
Remote Similarity 0.6239 NPC128265
Remote Similarity 0.6239 NPC214428
Remote Similarity 0.6239 NPC254240
Remote Similarity 0.6239 NPC116622
Remote Similarity 0.6239 NPC312870
Remote Similarity 0.6239 NPC121327
Remote Similarity 0.6239 NPC199851
Remote Similarity 0.6239 NPC294909
Remote Similarity 0.6238 NPC326479
Remote Similarity 0.6238 NPC311282
Remote Similarity 0.6238 NPC41717
Remote Similarity 0.6237 NPC100726
Remote Similarity 0.6237 NPC105811
Remote Similarity 0.6234 NPC64216
Remote Similarity 0.6233 NPC472752
Remote Similarity 0.6233 NPC474121
Remote Similarity 0.6228 NPC471198
Remote Similarity 0.6225 NPC273532
Remote Similarity 0.6221 NPC195457
Remote Similarity 0.6221 NPC474916
Remote Similarity 0.6218 NPC167400
Remote Similarity 0.6215 NPC56170
Remote Similarity 0.6214 NPC476419
Remote Similarity 0.6214 NPC267885
Remote Similarity 0.6207 NPC470894
Remote Similarity 0.6205 NPC234999
Remote Similarity 0.6204 NPC292361
Remote Similarity 0.6202 NPC88110
Remote Similarity 0.6202 NPC73994
Remote Similarity 0.6202 NPC469896
Remote Similarity 0.6201 NPC48317
Remote Similarity 0.62 NPC100104
Remote Similarity 0.62 NPC470680
Remote Similarity 0.6197 NPC83111
Remote Similarity 0.6195 NPC191310
Remote Similarity 0.6193 NPC106118
Remote Similarity 0.619 NPC203635
Remote Similarity 0.619 NPC207851
Remote Similarity 0.619 NPC258480
Remote Similarity 0.6186 NPC45850
Remote Similarity 0.6184 NPC15384
Remote Similarity 0.6184 NPC234987
Remote Similarity 0.6184 NPC244425
Remote Similarity 0.6184 NPC474081
Remote Similarity 0.6184 NPC14849
Remote Similarity 0.6182 NPC474116
Remote Similarity 0.6182 NPC162730
Remote Similarity 0.6175 NPC472541
Remote Similarity 0.6175 NPC472542
Remote Similarity 0.6175 NPC74153
Remote Similarity 0.6175 NPC329024
Remote Similarity 0.6173 NPC477420
Remote Similarity 0.6173 NPC477418
Remote Similarity 0.6173 NPC313889
Remote Similarity 0.6171 NPC313345
Remote Similarity 0.6171 NPC313796
Remote Similarity 0.6171 NPC314855
Remote Similarity 0.6171 NPC315638
Remote Similarity 0.6171 NPC277350
Remote Similarity 0.6165 NPC110500
Remote Similarity 0.6165 NPC469529
Remote Similarity 0.6165 NPC149155
Remote Similarity 0.6165 NPC203468
Remote Similarity 0.6164 NPC229893
Remote Similarity 0.6162 NPC263455
Remote Similarity 0.6161 NPC271862
Remote Similarity 0.6161 NPC469743
Remote Similarity 0.6161 NPC133003
Remote Similarity 0.6161 NPC476423
Remote Similarity 0.6157 NPC195239
Remote Similarity 0.6157 NPC157828
Remote Similarity 0.6154 NPC182057
Remote Similarity 0.6154 NPC131450
Remote Similarity 0.6154 NPC164340
Remote Similarity 0.6154 NPC55772
Remote Similarity 0.6154 NPC248041
Remote Similarity 0.6154 NPC157931
Remote Similarity 0.6154 NPC98715
Remote Similarity 0.6154 NPC295548
Remote Similarity 0.6154 NPC147298
Remote Similarity 0.6154 NPC283219
Remote Similarity 0.6154 NPC126709
Remote Similarity 0.615 NPC44354
Remote Similarity 0.615 NPC111732
Remote Similarity 0.615 NPC154478
Remote Similarity 0.615 NPC221873
Remote Similarity 0.615 NPC474492
Remote Similarity 0.615 NPC475778
Remote Similarity 0.615 NPC321708
Remote Similarity 0.6147 NPC473317
Remote Similarity 0.6146 NPC6982

Drug Structure

External Identifiers

TTD   DAP000851
DrugBank   DB01155
ChEMBL   CHEMBL430
IUPHAR/BPS  
PharmaGKB   PA10088
KEGG Drug   D02471
PubChem CID   9571107
ChEBI   101853
CAS Number  175463-14-6

Drug Properties

Molecular Weight  389.15
ALogP  -2.1033
MLogP  2.34
XLogP  1.387
HDA  7
HBD  2
Rotatable Bonds  9
TPSA  121.35
RO5 Violation  0