Drug Information

Drug ID:  NPD2906
Drug Name:  Ofloxacin
Molecular Formula:  C18H20FN3O4
Canonical SMILES:  CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C
Standard InCHI:  InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
Standard InCHIKey:  GSDSWSVVBLHKDQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2906

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 1.0 NPC329567
High Similarity 1.0 NPC330683
Intermediate Similarity 0.7604 NPC318183
Intermediate Similarity 0.7513 NPC292265
Intermediate Similarity 0.7476 NPC478075
Intermediate Similarity 0.743 NPC30749
Intermediate Similarity 0.7427 NPC112937
Intermediate Similarity 0.7346 NPC246140
Intermediate Similarity 0.7346 NPC195787
Intermediate Similarity 0.7302 NPC305542
Intermediate Similarity 0.7273 NPC127082
Intermediate Similarity 0.726 NPC138615
Intermediate Similarity 0.726 NPC218733
Intermediate Similarity 0.726 NPC132874
Intermediate Similarity 0.726 NPC265642
Intermediate Similarity 0.7188 NPC13249
Intermediate Similarity 0.7156 NPC176113
Intermediate Similarity 0.715 NPC212123
Intermediate Similarity 0.7108 NPC262725
Intermediate Similarity 0.7108 NPC87391
Intermediate Similarity 0.7062 NPC93653
Intermediate Similarity 0.705 NPC8467
Intermediate Similarity 0.7044 NPC314659
Intermediate Similarity 0.7042 NPC1464
Intermediate Similarity 0.7027 NPC222046
Intermediate Similarity 0.7018 NPC218303
Remote Similarity 0.6995 NPC197335
Remote Similarity 0.6995 NPC469732
Remote Similarity 0.6995 NPC270301
Remote Similarity 0.6995 NPC116096
Remote Similarity 0.699 NPC21425
Remote Similarity 0.6972 NPC474366
Remote Similarity 0.6968 NPC234772
Remote Similarity 0.6964 NPC7560
Remote Similarity 0.6955 NPC114468
Remote Similarity 0.6923 NPC148391
Remote Similarity 0.6923 NPC45389
Remote Similarity 0.6909 NPC127996
Remote Similarity 0.6893 NPC316141
Remote Similarity 0.6875 NPC475609
Remote Similarity 0.6872 NPC115588
Remote Similarity 0.6863 NPC166169
Remote Similarity 0.6852 NPC41216
Remote Similarity 0.6847 NPC2905
Remote Similarity 0.6842 NPC5630
Remote Similarity 0.6842 NPC476436
Remote Similarity 0.6838 NPC151171
Remote Similarity 0.6838 NPC301501
Remote Similarity 0.6837 NPC301163
Remote Similarity 0.683 NPC134702
Remote Similarity 0.6814 NPC118189
Remote Similarity 0.6814 NPC76478
Remote Similarity 0.6812 NPC471513
Remote Similarity 0.681 NPC329631
Remote Similarity 0.6806 NPC15987
Remote Similarity 0.68 NPC288110
Remote Similarity 0.6798 NPC122886
Remote Similarity 0.6784 NPC299582
Remote Similarity 0.6781 NPC476220
Remote Similarity 0.6781 NPC160113
Remote Similarity 0.6769 NPC285254
Remote Similarity 0.6768 NPC257763
Remote Similarity 0.6767 NPC139373
Remote Similarity 0.6761 NPC170333
Remote Similarity 0.6758 NPC198160
Remote Similarity 0.6756 NPC182853
Remote Similarity 0.6753 NPC223242
Remote Similarity 0.6753 NPC477397
Remote Similarity 0.6752 NPC154922
Remote Similarity 0.6751 NPC469451
Remote Similarity 0.675 NPC472114
Remote Similarity 0.675 NPC472115
Remote Similarity 0.6748 NPC472163
Remote Similarity 0.6743 NPC87714
Remote Similarity 0.6743 NPC268077
Remote Similarity 0.6742 NPC269449
Remote Similarity 0.6737 NPC469450
Remote Similarity 0.673 NPC1820
Remote Similarity 0.673 NPC22476
Remote Similarity 0.673 NPC28510
Remote Similarity 0.6729 NPC41488
Remote Similarity 0.6726 NPC268223
Remote Similarity 0.6725 NPC19175
Remote Similarity 0.6713 NPC138830
Remote Similarity 0.6699 NPC85613
Remote Similarity 0.6699 NPC5167
Remote Similarity 0.6698 NPC234933
Remote Similarity 0.6697 NPC207971
Remote Similarity 0.6697 NPC475133
Remote Similarity 0.6696 NPC476069
Remote Similarity 0.6695 NPC329932
Remote Similarity 0.6695 NPC476429
Remote Similarity 0.6682 NPC232600
Remote Similarity 0.6682 NPC119722
Remote Similarity 0.6682 NPC116178
Remote Similarity 0.6681 NPC87560
Remote Similarity 0.6681 NPC469452
Remote Similarity 0.6667 NPC127362
Remote Similarity 0.6667 NPC313112
Remote Similarity 0.6667 NPC476258
Remote Similarity 0.6667 NPC203972
Remote Similarity 0.6667 NPC304837
Remote Similarity 0.6667 NPC301292
Remote Similarity 0.6653 NPC314702
Remote Similarity 0.6652 NPC217903
Remote Similarity 0.6652 NPC321166
Remote Similarity 0.6651 NPC203628
Remote Similarity 0.6649 NPC144691
Remote Similarity 0.6637 NPC126556
Remote Similarity 0.6637 NPC195636
Remote Similarity 0.662 NPC114039
Remote Similarity 0.662 NPC206109
Remote Similarity 0.6611 NPC477395
Remote Similarity 0.6611 NPC113455
Remote Similarity 0.661 NPC291173
Remote Similarity 0.6608 NPC77777
Remote Similarity 0.6608 NPC195120
Remote Similarity 0.6607 NPC470482
Remote Similarity 0.6607 NPC470481
Remote Similarity 0.6605 NPC303214
Remote Similarity 0.6603 NPC302235
Remote Similarity 0.6595 NPC473458
Remote Similarity 0.6594 NPC128476
Remote Similarity 0.6591 NPC475147
Remote Similarity 0.6591 NPC133156
Remote Similarity 0.6587 NPC288305
Remote Similarity 0.6584 NPC476569
Remote Similarity 0.6582 NPC131977
Remote Similarity 0.6574 NPC316282
Remote Similarity 0.6567 NPC204867
Remote Similarity 0.6564 NPC241392
Remote Similarity 0.6562 NPC295479
Remote Similarity 0.6562 NPC220241
Remote Similarity 0.656 NPC67904
Remote Similarity 0.6558 NPC198401
Remote Similarity 0.655 NPC157983
Remote Similarity 0.655 NPC118154
Remote Similarity 0.6544 NPC100863
Remote Similarity 0.6542 NPC469722
Remote Similarity 0.6529 NPC120239
Remote Similarity 0.6525 NPC185031
Remote Similarity 0.6524 NPC248903
Remote Similarity 0.6518 NPC25961
Remote Similarity 0.6507 NPC327005
Remote Similarity 0.65 NPC133817
Remote Similarity 0.65 NPC474077
Remote Similarity 0.65 NPC288759
Remote Similarity 0.65 NPC476443
Remote Similarity 0.6498 NPC470021
Remote Similarity 0.6495 NPC92803
Remote Similarity 0.6494 NPC148124
Remote Similarity 0.6491 NPC478046
Remote Similarity 0.6491 NPC478047
Remote Similarity 0.6491 NPC180210
Remote Similarity 0.6491 NPC321226
Remote Similarity 0.6491 NPC314914
Remote Similarity 0.6491 NPC328856
Remote Similarity 0.6488 NPC477393
Remote Similarity 0.6488 NPC471648
Remote Similarity 0.6488 NPC208522
Remote Similarity 0.6481 NPC26928
Remote Similarity 0.6478 NPC318525
Remote Similarity 0.6478 NPC10653
Remote Similarity 0.6476 NPC189661
Remote Similarity 0.6476 NPC314817
Remote Similarity 0.6476 NPC66191
Remote Similarity 0.6476 NPC316297
Remote Similarity 0.6468 NPC71124
Remote Similarity 0.6463 NPC316368
Remote Similarity 0.6463 NPC284236
Remote Similarity 0.646 NPC159815
Remote Similarity 0.6452 NPC477258
Remote Similarity 0.6452 NPC470023
Remote Similarity 0.645 NPC329830
Remote Similarity 0.645 NPC99724
Remote Similarity 0.6447 NPC470001
Remote Similarity 0.6447 NPC470002
Remote Similarity 0.6447 NPC478048
Remote Similarity 0.6441 NPC211215
Remote Similarity 0.6438 NPC5374
Remote Similarity 0.6438 NPC241263
Remote Similarity 0.6438 NPC477394
Remote Similarity 0.6434 NPC477396
Remote Similarity 0.6429 NPC309692
Remote Similarity 0.6422 NPC161804
Remote Similarity 0.6414 NPC49547
Remote Similarity 0.6413 NPC158551
Remote Similarity 0.6413 NPC477161
Remote Similarity 0.641 NPC266994
Remote Similarity 0.6408 NPC471604
Remote Similarity 0.6407 NPC170101
Remote Similarity 0.6407 NPC472099
Remote Similarity 0.6402 NPC18890
Remote Similarity 0.6398 NPC470317
Remote Similarity 0.6396 NPC317572
Remote Similarity 0.6393 NPC17677
Remote Similarity 0.639 NPC33507
Remote Similarity 0.6389 NPC473004
Remote Similarity 0.6389 NPC226708
Remote Similarity 0.6388 NPC472098

Drug Structure

External Identifiers

TTD   DAP000655
DrugBank   DB01165
ChEMBL   CHEMBL4
IUPHAR/BPS  
PharmaGKB   PA450684
KEGG Drug   D00453
PubChem CID   4583
ChEBI   7731
CAS Number  82419-36-1

Drug Properties

Molecular Weight  361.14
ALogP  -0.226
MLogP  2.56
XLogP  1.49
HDA  6
HBD  1
Rotatable Bonds  6
TPSA  73.32
RO5 Violation  0