Drug Information

Drug ID:  NPD3414
Drug Name:  Besifloxacin
Molecular Formula:  C19H21ClFN3O3
Canonical SMILES:  N[C@@H]1CCCCN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)C1CC1
Standard InCHI:  InChI=1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h7,9-11H,1-6,8,22H2,(H,26,27)/t10-/m1/s1
Standard InCHIKey:  QFFGVLORLPOAEC-SNVBAGLBSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3414

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
High Similarity 0.9641 NPC316141
High Similarity 0.8706 NPC292265
Intermediate Similarity 0.7966 NPC318183
Remote Similarity 0.6893 NPC330683
Remote Similarity 0.6893 NPC329567
Remote Similarity 0.6596 NPC293458
Remote Similarity 0.6578 NPC36495
Remote Similarity 0.6552 NPC202812
Remote Similarity 0.648 NPC471164
Remote Similarity 0.6465 NPC470317
Remote Similarity 0.6437 NPC314098
Remote Similarity 0.6436 NPC123241
Remote Similarity 0.6425 NPC472118
Remote Similarity 0.642 NPC253476
Remote Similarity 0.6389 NPC43477
Remote Similarity 0.6379 NPC194562
Remote Similarity 0.6368 NPC474058
Remote Similarity 0.6368 NPC27904
Remote Similarity 0.6358 NPC307437
Remote Similarity 0.6358 NPC58827
Remote Similarity 0.6358 NPC72473
Remote Similarity 0.6354 NPC472241
Remote Similarity 0.635 NPC97584
Remote Similarity 0.6337 NPC472244
Remote Similarity 0.6337 NPC470343
Remote Similarity 0.6333 NPC242933
Remote Similarity 0.6333 NPC472243
Remote Similarity 0.6328 NPC316104
Remote Similarity 0.6328 NPC162417
Remote Similarity 0.6289 NPC224970
Remote Similarity 0.6289 NPC167724
Remote Similarity 0.6289 NPC223595
Remote Similarity 0.6275 NPC313293
Remote Similarity 0.6272 NPC291962
Remote Similarity 0.6272 NPC177684
Remote Similarity 0.6263 NPC61013
Remote Similarity 0.625 NPC472242
Remote Similarity 0.6235 NPC258531
Remote Similarity 0.6235 NPC179605
Remote Similarity 0.6235 NPC279385
Remote Similarity 0.6235 NPC161956
Remote Similarity 0.6235 NPC112373
Remote Similarity 0.623 NPC193410
Remote Similarity 0.6218 NPC189116
Remote Similarity 0.6216 NPC478039
Remote Similarity 0.6203 NPC144691
Remote Similarity 0.6199 NPC103292
Remote Similarity 0.6198 NPC248117
Remote Similarity 0.6193 NPC472245
Remote Similarity 0.6181 NPC14849
Remote Similarity 0.6162 NPC328611
Remote Similarity 0.6158 NPC316746
Remote Similarity 0.615 NPC99043
Remote Similarity 0.615 NPC218594
Remote Similarity 0.615 NPC147298
Remote Similarity 0.615 NPC131450
Remote Similarity 0.615 NPC182057
Remote Similarity 0.6134 NPC138293
Remote Similarity 0.6134 NPC113056
Remote Similarity 0.6117 NPC5630
Remote Similarity 0.6108 NPC314186
Remote Similarity 0.6105 NPC257490
Remote Similarity 0.6102 NPC314431
Remote Similarity 0.61 NPC186669
Remote Similarity 0.6087 NPC203628
Remote Similarity 0.6085 NPC314223
Remote Similarity 0.6078 NPC52262
Remote Similarity 0.6069 NPC39818
Remote Similarity 0.6064 NPC300596
Remote Similarity 0.6064 NPC237649
Remote Similarity 0.6048 NPC303214
Remote Similarity 0.6045 NPC150863
Remote Similarity 0.6029 NPC471742
Remote Similarity 0.6029 NPC285923
Remote Similarity 0.6022 NPC173295
Remote Similarity 0.602 NPC471130
Remote Similarity 0.6019 NPC473815
Remote Similarity 0.6011 NPC280807
Remote Similarity 0.6 NPC248862
Remote Similarity 0.6 NPC329338
Remote Similarity 0.6 NPC88970
Remote Similarity 0.6 NPC469726
Remote Similarity 0.599 NPC279527
Remote Similarity 0.599 NPC214960
Remote Similarity 0.5988 NPC226143
Remote Similarity 0.597 NPC203202
Remote Similarity 0.597 NPC264482
Remote Similarity 0.597 NPC475607
Remote Similarity 0.5969 NPC204867
Remote Similarity 0.5969 NPC285381
Remote Similarity 0.5954 NPC150323
Remote Similarity 0.5942 NPC14994
Remote Similarity 0.5941 NPC474081
Remote Similarity 0.5936 NPC130797
Remote Similarity 0.5932 NPC322433
Remote Similarity 0.5924 NPC319645
Remote Similarity 0.592 NPC475594
Remote Similarity 0.592 NPC470548
Remote Similarity 0.5918 NPC472117
Remote Similarity 0.5918 NPC282339
Remote Similarity 0.5918 NPC99632
Remote Similarity 0.5916 NPC154602
Remote Similarity 0.5911 NPC475761
Remote Similarity 0.5911 NPC474041
Remote Similarity 0.5911 NPC6974
Remote Similarity 0.5909 NPC472114
Remote Similarity 0.5909 NPC472115
Remote Similarity 0.5907 NPC232600
Remote Similarity 0.5902 NPC159963
Remote Similarity 0.5897 NPC154478
Remote Similarity 0.5891 NPC471743
Remote Similarity 0.5879 NPC470971
Remote Similarity 0.5876 NPC84317
Remote Similarity 0.587 NPC122553
Remote Similarity 0.5869 NPC316282
Remote Similarity 0.5867 NPC472102
Remote Similarity 0.5867 NPC309531
Remote Similarity 0.5866 NPC209389
Remote Similarity 0.5864 NPC241392
Remote Similarity 0.5862 NPC130931
Remote Similarity 0.586 NPC316202
Remote Similarity 0.5851 NPC136002
Remote Similarity 0.5841 NPC218733
Remote Similarity 0.5841 NPC265642
Remote Similarity 0.5841 NPC138615
Remote Similarity 0.5841 NPC132874
Remote Similarity 0.5837 NPC316405
Remote Similarity 0.5833 NPC471944
Remote Similarity 0.5833 NPC477432
Remote Similarity 0.5829 NPC182131
Remote Similarity 0.5821 NPC355
Remote Similarity 0.5817 NPC87391
Remote Similarity 0.5813 NPC476441
Remote Similarity 0.5799 NPC225400
Remote Similarity 0.5795 NPC268534
Remote Similarity 0.5787 NPC205946
Remote Similarity 0.5782 NPC22476
Remote Similarity 0.5781 NPC13526
Remote Similarity 0.5775 NPC2823
Remote Similarity 0.5775 NPC471574
Remote Similarity 0.5773 NPC470786
Remote Similarity 0.5773 NPC471155
Remote Similarity 0.5773 NPC472538
Remote Similarity 0.5773 NPC478076
Remote Similarity 0.5758 NPC476231
Remote Similarity 0.5756 NPC475094
Remote Similarity 0.5749 NPC314659
Remote Similarity 0.5747 NPC285192
Remote Similarity 0.5747 NPC270241
Remote Similarity 0.5741 NPC107828
Remote Similarity 0.5741 NPC106118
Remote Similarity 0.5741 NPC90358
Remote Similarity 0.5733 NPC189661
Remote Similarity 0.5728 NPC475685
Remote Similarity 0.5727 NPC471191
Remote Similarity 0.5714 NPC314287
Remote Similarity 0.5714 NPC115588
Remote Similarity 0.5714 NPC478040
Remote Similarity 0.5708 NPC25401
Remote Similarity 0.5707 NPC225319
Remote Similarity 0.5701 NPC19692
Remote Similarity 0.5701 NPC220151
Remote Similarity 0.5701 NPC478075
Remote Similarity 0.57 NPC470069
Remote Similarity 0.57 NPC197335
Remote Similarity 0.57 NPC52059
Remote Similarity 0.5699 NPC287358
Remote Similarity 0.5698 NPC113099
Remote Similarity 0.5691 NPC122235
Remote Similarity 0.5688 NPC136573
Remote Similarity 0.5688 NPC176371
Remote Similarity 0.5687 NPC284706
Remote Similarity 0.5685 NPC153694
Remote Similarity 0.5685 NPC211525
Remote Similarity 0.5682 NPC87714
Remote Similarity 0.5678 NPC35510
Remote Similarity 0.5678 NPC472121
Remote Similarity 0.5678 NPC253667
Remote Similarity 0.5678 NPC286871
Remote Similarity 0.5678 NPC199737
Remote Similarity 0.5676 NPC300299
Remote Similarity 0.5674 NPC472293
Remote Similarity 0.5674 NPC254698
Remote Similarity 0.5674 NPC472540
Remote Similarity 0.5674 NPC472539
Remote Similarity 0.5674 NPC470787
Remote Similarity 0.5672 NPC278887
Remote Similarity 0.5668 NPC315224
Remote Similarity 0.5667 NPC150308
Remote Similarity 0.566 NPC83111
Remote Similarity 0.5658 NPC248601
Remote Similarity 0.5652 NPC298320
Remote Similarity 0.5649 NPC151171
Remote Similarity 0.5648 NPC471199
Remote Similarity 0.5648 NPC472542
Remote Similarity 0.5648 NPC472541
Remote Similarity 0.5642 NPC192533
Remote Similarity 0.5641 NPC122106
Remote Similarity 0.5638 NPC315051
Remote Similarity 0.5637 NPC476425

Drug Structure

External Identifiers

TTD   DNAP001681
DrugBank   DB06771
ChEMBL   CHEMBL1201760
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D08872
PubChem CID   10178705
ChEBI   135622
CAS Number  141388-76-3

Drug Properties

Molecular Weight  393.13
ALogP  -1.7695
MLogP  2.67
XLogP  2.805
HDA  6
HBD  2
Rotatable Bonds  7
TPSA  86.87
RO5 Violation  0