Drug Information

Drug ID:  NPD3380
Drug Name:  Zabofloxacin
Molecular Formula:  C19H20FN5O4
Canonical SMILES:  CO/N=C/1CN(CC21CNC2)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
Standard InCHI:  InChI=1S/C19H20FN5O4/c1-29-23-14-6-24(9-19(14)7-21-8-19)17-13(20)4-11-15(26)12(18(27)28)5-25(10-2-3-10)16(11)22-17/h4-5,10,21H,2-3,6-9H2,1H3,(H,27,28)/b23-14+
Standard InCHIKey:  ZNPOCLHDJCAZAH-OEAKJJBVSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3380

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 0.8201 NPC285923
Remote Similarity 0.6971 NPC202812
Remote Similarity 0.675 NPC292265
Remote Similarity 0.6697 NPC243850
Remote Similarity 0.6682 NPC147983
Remote Similarity 0.6682 NPC177996
Remote Similarity 0.6622 NPC153980
Remote Similarity 0.6622 NPC6865
Remote Similarity 0.6577 NPC72956
Remote Similarity 0.6542 NPC472293
Remote Similarity 0.6533 NPC471192
Remote Similarity 0.65 NPC471191
Remote Similarity 0.6473 NPC471194
Remote Similarity 0.6473 NPC471193
Remote Similarity 0.6462 NPC314333
Remote Similarity 0.6459 NPC46895
Remote Similarity 0.6452 NPC472297
Remote Similarity 0.6452 NPC472296
Remote Similarity 0.6449 NPC247735
Remote Similarity 0.6449 NPC81802
Remote Similarity 0.6449 NPC269886
Remote Similarity 0.6449 NPC472210
Remote Similarity 0.6449 NPC472295
Remote Similarity 0.6429 NPC476341
Remote Similarity 0.6429 NPC316141
Remote Similarity 0.6419 NPC220151
Remote Similarity 0.6419 NPC19692
Remote Similarity 0.6411 NPC159125
Remote Similarity 0.6406 NPC248782
Remote Similarity 0.6402 NPC472292
Remote Similarity 0.6393 NPC98864
Remote Similarity 0.6376 NPC241024
Remote Similarity 0.6376 NPC103361
Remote Similarity 0.6364 NPC209362
Remote Similarity 0.6341 NPC318183
Remote Similarity 0.6338 NPC175474
Remote Similarity 0.633 NPC52557
Remote Similarity 0.6326 NPC55493
Remote Similarity 0.6323 NPC471155
Remote Similarity 0.6318 NPC471944
Remote Similarity 0.6316 NPC61011
Remote Similarity 0.6313 NPC472116
Remote Similarity 0.6308 NPC329858
Remote Similarity 0.6303 NPC21429
Remote Similarity 0.6301 NPC106118
Remote Similarity 0.6295 NPC270241
Remote Similarity 0.628 NPC74619
Remote Similarity 0.6278 NPC225400
Remote Similarity 0.6267 NPC93390
Remote Similarity 0.6267 NPC135950
Remote Similarity 0.6256 NPC467188
Remote Similarity 0.625 NPC470786
Remote Similarity 0.625 NPC472538
Remote Similarity 0.6244 NPC123906
Remote Similarity 0.6239 NPC102592
Remote Similarity 0.6239 NPC79356
Remote Similarity 0.6233 NPC473376
Remote Similarity 0.6231 NPC251391
Remote Similarity 0.6223 NPC220851
Remote Similarity 0.622 NPC83774
Remote Similarity 0.6215 NPC472323
Remote Similarity 0.621 NPC473814
Remote Similarity 0.621 NPC78767
Remote Similarity 0.6204 NPC477418
Remote Similarity 0.6204 NPC477420
Remote Similarity 0.6199 NPC214428
Remote Similarity 0.6197 NPC311282
Remote Similarity 0.6195 NPC472752
Remote Similarity 0.6193 NPC474121
Remote Similarity 0.6193 NPC105811
Remote Similarity 0.619 NPC219336
Remote Similarity 0.6186 NPC196251
Remote Similarity 0.6186 NPC102338
Remote Similarity 0.6186 NPC63199
Remote Similarity 0.6186 NPC111602
Remote Similarity 0.6181 NPC70406
Remote Similarity 0.6174 NPC62995
Remote Similarity 0.6168 NPC135601
Remote Similarity 0.6168 NPC17273
Remote Similarity 0.6168 NPC235684
Remote Similarity 0.6168 NPC141612
Remote Similarity 0.6167 NPC234999
Remote Similarity 0.6165 NPC46359
Remote Similarity 0.6164 NPC48317
Remote Similarity 0.6164 NPC245916
Remote Similarity 0.6161 NPC473239
Remote Similarity 0.6158 NPC100104
Remote Similarity 0.6158 NPC470680
Remote Similarity 0.6157 NPC469489
Remote Similarity 0.6157 NPC154339
Remote Similarity 0.6157 NPC54744
Remote Similarity 0.6151 NPC89987
Remote Similarity 0.615 NPC470003
Remote Similarity 0.615 NPC116555
Remote Similarity 0.6147 NPC267343
Remote Similarity 0.6145 NPC471536
Remote Similarity 0.6143 NPC162730
Remote Similarity 0.6143 NPC183662
Remote Similarity 0.6143 NPC474116
Remote Similarity 0.6143 NPC217372
Remote Similarity 0.6143 NPC15573
Remote Similarity 0.614 NPC278434
Remote Similarity 0.614 NPC473815
Remote Similarity 0.6139 NPC213914
Remote Similarity 0.6137 NPC272174
Remote Similarity 0.6134 NPC116622
Remote Similarity 0.6133 NPC277350
Remote Similarity 0.6132 NPC113626
Remote Similarity 0.6129 NPC473763
Remote Similarity 0.6129 NPC117244
Remote Similarity 0.6126 NPC195461
Remote Similarity 0.6126 NPC49196
Remote Similarity 0.6126 NPC313985
Remote Similarity 0.6126 NPC79129
Remote Similarity 0.6126 NPC249150
Remote Similarity 0.6126 NPC81654
Remote Similarity 0.6124 NPC248862
Remote Similarity 0.6123 NPC271862
Remote Similarity 0.6123 NPC469743
Remote Similarity 0.6119 NPC195239
Remote Similarity 0.6119 NPC157828
Remote Similarity 0.6117 NPC41717
Remote Similarity 0.6116 NPC98715
Remote Similarity 0.6114 NPC475778
Remote Similarity 0.6111 NPC100726
Remote Similarity 0.6109 NPC102008
Remote Similarity 0.6109 NPC50503
Remote Similarity 0.6109 NPC474916
Remote Similarity 0.6106 NPC225821
Remote Similarity 0.6106 NPC46225
Remote Similarity 0.6106 NPC273532
Remote Similarity 0.6106 NPC6982
Remote Similarity 0.6104 NPC330009
Remote Similarity 0.6104 NPC469928
Remote Similarity 0.6096 NPC187255
Remote Similarity 0.6095 NPC267885
Remote Similarity 0.6095 NPC476419
Remote Similarity 0.6091 NPC11445
Remote Similarity 0.6091 NPC292361
Remote Similarity 0.6091 NPC167400
Remote Similarity 0.6089 NPC314648
Remote Similarity 0.6087 NPC470894
Remote Similarity 0.6087 NPC472291
Remote Similarity 0.6085 NPC15840
Remote Similarity 0.6085 NPC469896
Remote Similarity 0.6085 NPC88110
Remote Similarity 0.6085 NPC73994
Remote Similarity 0.6083 NPC472112
Remote Similarity 0.6083 NPC83111
Remote Similarity 0.6079 NPC127677
Remote Similarity 0.6079 NPC258062
Remote Similarity 0.6079 NPC71238
Remote Similarity 0.6078 NPC471197
Remote Similarity 0.6078 NPC477416
Remote Similarity 0.6077 NPC191310
Remote Similarity 0.6075 NPC207851
Remote Similarity 0.6075 NPC203635
Remote Similarity 0.6073 NPC473821
Remote Similarity 0.6071 NPC143977
Remote Similarity 0.607 NPC54981
Remote Similarity 0.6066 NPC14849
Remote Similarity 0.6063 NPC469736
Remote Similarity 0.6063 NPC74153
Remote Similarity 0.6063 NPC471199
Remote Similarity 0.6059 NPC64216
Remote Similarity 0.6059 NPC229893
Remote Similarity 0.6054 NPC294909
Remote Similarity 0.6054 NPC312870
Remote Similarity 0.6054 NPC254240
Remote Similarity 0.6054 NPC128265
Remote Similarity 0.6054 NPC121327
Remote Similarity 0.6054 NPC199851
Remote Similarity 0.6052 NPC471198
Remote Similarity 0.605 NPC313889
Remote Similarity 0.605 NPC471655
Remote Similarity 0.605 NPC157931
Remote Similarity 0.6048 NPC110500
Remote Similarity 0.6048 NPC469529
Remote Similarity 0.6048 NPC203468
Remote Similarity 0.6048 NPC149155
Remote Similarity 0.6047 NPC133003
Remote Similarity 0.6047 NPC476423
Remote Similarity 0.6045 NPC289299
Remote Similarity 0.6045 NPC57994
Remote Similarity 0.6044 NPC295548
Remote Similarity 0.6043 NPC151976
Remote Similarity 0.6043 NPC2395
Remote Similarity 0.6043 NPC474896
Remote Similarity 0.6043 NPC87856
Remote Similarity 0.604 NPC14812
Remote Similarity 0.604 NPC263455
Remote Similarity 0.6039 NPC326479
Remote Similarity 0.6038 NPC164340
Remote Similarity 0.6038 NPC147298
Remote Similarity 0.6038 NPC126709
Remote Similarity 0.6038 NPC213468
Remote Similarity 0.6038 NPC283219
Remote Similarity 0.6038 NPC55772
Remote Similarity 0.6038 NPC182057
Remote Similarity 0.6038 NPC248462

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  401.15
ALogP  -1.9873
MLogP  2.45
XLogP  1.345
HDA  7
HBD  2
Rotatable Bonds  7
TPSA  107.36
RO5 Violation  0