Drug Information

Drug ID:  NPD4494
Drug Name:  Moxifloxacin
Molecular Formula:  C21H24FN3O4
Canonical SMILES:  COc1c(N2C[C@@H]3[C@H](C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1
Standard InCHI:  InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
Standard InCHIKey:  FABPRXSRWADJSP-MEDUHNTESA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4494

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 0.9077 NPC329567
High Similarity 0.9077 NPC330683
Intermediate Similarity 0.8 NPC292265
Intermediate Similarity 0.7707 NPC138615
Intermediate Similarity 0.7707 NPC265642
Intermediate Similarity 0.7707 NPC132874
Intermediate Similarity 0.7707 NPC218733
Intermediate Similarity 0.7703 NPC195787
Intermediate Similarity 0.7703 NPC246140
Intermediate Similarity 0.7667 NPC478075
Intermediate Similarity 0.7588 NPC314659
Intermediate Similarity 0.7538 NPC197335
Intermediate Similarity 0.7512 NPC316141
Intermediate Similarity 0.7475 NPC87391
Intermediate Similarity 0.7429 NPC469732
Intermediate Similarity 0.7393 NPC1464
Intermediate Similarity 0.736 NPC318183
Intermediate Similarity 0.7282 NPC5630
Intermediate Similarity 0.72 NPC115588
Intermediate Similarity 0.7163 NPC22476
Intermediate Similarity 0.7156 NPC474366
Intermediate Similarity 0.7156 NPC269449
Intermediate Similarity 0.7143 NPC257763
Intermediate Similarity 0.7124 NPC122886
Intermediate Similarity 0.7123 NPC112937
Intermediate Similarity 0.7108 NPC270301
Intermediate Similarity 0.7091 NPC119722
Intermediate Similarity 0.7083 NPC87714
Intermediate Similarity 0.7082 NPC151171
Intermediate Similarity 0.7081 NPC203628
Intermediate Similarity 0.7048 NPC19175
Intermediate Similarity 0.7042 NPC100863
Intermediate Similarity 0.704 NPC126556
Intermediate Similarity 0.7028 NPC303214
Intermediate Similarity 0.7024 NPC116096
Intermediate Similarity 0.7023 NPC232600
Intermediate Similarity 0.7018 NPC212123
Intermediate Similarity 0.7005 NPC475147
Remote Similarity 0.6996 NPC154922
Remote Similarity 0.6996 NPC234772
Remote Similarity 0.6982 NPC30749
Remote Similarity 0.6978 NPC222046
Remote Similarity 0.6964 NPC195636
Remote Similarity 0.6951 NPC176113
Remote Similarity 0.6942 NPC472163
Remote Similarity 0.6938 NPC21425
Remote Similarity 0.6936 NPC301501
Remote Similarity 0.6933 NPC77777
Remote Similarity 0.6923 NPC291173
Remote Similarity 0.6919 NPC93653
Remote Similarity 0.6903 NPC475609
Remote Similarity 0.6878 NPC475133
Remote Similarity 0.6872 NPC476069
Remote Similarity 0.6872 NPC474059
Remote Similarity 0.6867 NPC139373
Remote Similarity 0.6861 NPC127996
Remote Similarity 0.6861 NPC305542
Remote Similarity 0.6853 NPC223242
Remote Similarity 0.6849 NPC113455
Remote Similarity 0.6849 NPC469451
Remote Similarity 0.6842 NPC7560
Remote Similarity 0.6842 NPC128476
Remote Similarity 0.6837 NPC41488
Remote Similarity 0.6837 NPC316282
Remote Similarity 0.6835 NPC469450
Remote Similarity 0.683 NPC114468
Remote Similarity 0.6829 NPC8467
Remote Similarity 0.6818 NPC477161
Remote Similarity 0.6816 NPC218303
Remote Similarity 0.681 NPC262725
Remote Similarity 0.68 NPC189661
Remote Similarity 0.68 NPC148391
Remote Similarity 0.6792 NPC329932
Remote Similarity 0.6786 NPC470481
Remote Similarity 0.6786 NPC470482
Remote Similarity 0.6784 NPC301163
Remote Similarity 0.6778 NPC469452
Remote Similarity 0.6769 NPC241392
Remote Similarity 0.6767 NPC13249
Remote Similarity 0.6767 NPC471513
Remote Similarity 0.6763 NPC120239
Remote Similarity 0.6754 NPC288110
Remote Similarity 0.6737 NPC160113
Remote Similarity 0.6737 NPC476220
Remote Similarity 0.6731 NPC85613
Remote Similarity 0.6731 NPC166169
Remote Similarity 0.6731 NPC283810
Remote Similarity 0.6731 NPC5167
Remote Similarity 0.6726 NPC2905
Remote Similarity 0.6716 NPC293458
Remote Similarity 0.6714 NPC97584
Remote Similarity 0.6711 NPC184408
Remote Similarity 0.6711 NPC134702
Remote Similarity 0.6711 NPC87560
Remote Similarity 0.6709 NPC477397
Remote Similarity 0.67 NPC472114
Remote Similarity 0.67 NPC472115
Remote Similarity 0.6698 NPC14994
Remote Similarity 0.6696 NPC76478
Remote Similarity 0.6696 NPC118189
Remote Similarity 0.6681 NPC131977
Remote Similarity 0.6681 NPC314702
Remote Similarity 0.6681 NPC231924
Remote Similarity 0.6667 NPC469815
Remote Similarity 0.6667 NPC469816
Remote Similarity 0.6667 NPC223595
Remote Similarity 0.6667 NPC167724
Remote Similarity 0.6667 NPC198401
Remote Similarity 0.6667 NPC224970
Remote Similarity 0.6653 NPC208522
Remote Similarity 0.6652 NPC476436
Remote Similarity 0.6652 NPC285254
Remote Similarity 0.665 NPC299582
Remote Similarity 0.6638 NPC195120
Remote Similarity 0.6638 NPC182853
Remote Similarity 0.6636 NPC45389
Remote Similarity 0.6636 NPC170333
Remote Similarity 0.6635 NPC302235
Remote Similarity 0.6635 NPC127082
Remote Similarity 0.6625 NPC304837
Remote Similarity 0.6625 NPC476258
Remote Similarity 0.6622 NPC268077
Remote Similarity 0.6622 NPC25961
Remote Similarity 0.6617 NPC36495
Remote Similarity 0.6617 NPC193410
Remote Similarity 0.6608 NPC268223
Remote Similarity 0.6607 NPC285192
Remote Similarity 0.6605 NPC25401
Remote Similarity 0.6605 NPC1820
Remote Similarity 0.6596 NPC274640
Remote Similarity 0.659 NPC230313
Remote Similarity 0.6584 NPC248117
Remote Similarity 0.658 NPC472099
Remote Similarity 0.658 NPC157983
Remote Similarity 0.658 NPC118154
Remote Similarity 0.6578 NPC477160
Remote Similarity 0.6577 NPC41216
Remote Similarity 0.6577 NPC207971
Remote Similarity 0.6575 NPC71124
Remote Similarity 0.6571 NPC70092
Remote Similarity 0.657 NPC477395
Remote Similarity 0.657 NPC469722
Remote Similarity 0.6567 NPC123241
Remote Similarity 0.6567 NPC61013
Remote Similarity 0.656 NPC125924
Remote Similarity 0.6553 NPC473458
Remote Similarity 0.6553 NPC472118
Remote Similarity 0.6553 NPC478078
Remote Similarity 0.6553 NPC257851
Remote Similarity 0.6547 NPC301292
Remote Similarity 0.6547 NPC313112
Remote Similarity 0.6544 NPC203972
Remote Similarity 0.6535 NPC39500
Remote Similarity 0.653 NPC161804
Remote Similarity 0.6529 NPC148889
Remote Similarity 0.6528 NPC28510
Remote Similarity 0.6524 NPC99043
Remote Similarity 0.6524 NPC218594
Remote Similarity 0.6522 NPC471197
Remote Similarity 0.6516 NPC138830
Remote Similarity 0.6515 NPC144691
Remote Similarity 0.6513 NPC476429
Remote Similarity 0.6513 NPC49547
Remote Similarity 0.6509 NPC470317
Remote Similarity 0.6509 NPC159963
Remote Similarity 0.6507 NPC316297
Remote Similarity 0.6507 NPC314817
Remote Similarity 0.6507 NPC66191
Remote Similarity 0.6505 NPC33507
Remote Similarity 0.6498 NPC114039
Remote Similarity 0.6498 NPC206109
Remote Similarity 0.6494 NPC471198
Remote Similarity 0.6489 NPC198160
Remote Similarity 0.6483 NPC470480
Remote Similarity 0.6482 NPC314223
Remote Similarity 0.6476 NPC186669
Remote Similarity 0.6473 NPC163829
Remote Similarity 0.6473 NPC133156
Remote Similarity 0.6466 NPC288987
Remote Similarity 0.6465 NPC473815
Remote Similarity 0.6463 NPC321166
Remote Similarity 0.6461 NPC475844
Remote Similarity 0.6459 NPC469726
Remote Similarity 0.6459 NPC329338
Remote Similarity 0.6456 NPC194740
Remote Similarity 0.6455 NPC90967
Remote Similarity 0.6453 NPC144452
Remote Similarity 0.6452 NPC67401
Remote Similarity 0.6449 NPC477393
Remote Similarity 0.6447 NPC295479
Remote Similarity 0.6447 NPC220241
Remote Similarity 0.644 NPC185172
Remote Similarity 0.6439 NPC204867
Remote Similarity 0.6438 NPC243626
Remote Similarity 0.6435 NPC118228
Remote Similarity 0.6429 NPC203202
Remote Similarity 0.6429 NPC264482
Remote Similarity 0.6426 NPC314222
Remote Similarity 0.6426 NPC196449
Remote Similarity 0.6422 NPC96321

Drug Structure

External Identifiers

TTD   DAP000158
DrugBank   DB00218
ChEMBL   CHEMBL32
IUPHAR/BPS  
PharmaGKB   PA450555
KEGG Drug   D08237
PubChem CID   152946
ChEBI   63611
CAS Number  151096-09-2

Drug Properties

Molecular Weight  401.18
ALogP  -1.699
MLogP  2.89
XLogP  2.319
HDA  6
HBD  2
Rotatable Bonds  7
TPSA  82.11
RO5 Violation  0