Drug Information

Drug ID:  NPD683
Drug Name:  Cinoxacin
Molecular Formula:  C12H10N2O5
Canonical SMILES:  CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2
Standard InCHI:  InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)
Standard InCHIKey:  VDUWPHTZYNWKRN-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD683

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 0.7887 NPC5167
Intermediate Similarity 0.7704 NPC85613
Intermediate Similarity 0.7692 NPC268077
Intermediate Similarity 0.7674 NPC195120
Intermediate Similarity 0.7674 NPC87560
Intermediate Similarity 0.756 NPC207971
Intermediate Similarity 0.7559 NPC220241
Intermediate Similarity 0.7559 NPC295479
Intermediate Similarity 0.7549 NPC254957
Intermediate Similarity 0.7523 NPC157983
Intermediate Similarity 0.7523 NPC118154
Intermediate Similarity 0.7488 NPC71124
Intermediate Similarity 0.7442 NPC119722
Intermediate Similarity 0.7441 NPC475147
Intermediate Similarity 0.7437 NPC283810
Intermediate Similarity 0.7385 NPC126556
Intermediate Similarity 0.7371 NPC299582
Intermediate Similarity 0.7368 NPC5374
Intermediate Similarity 0.7352 NPC182853
Intermediate Similarity 0.7349 NPC269449
Intermediate Similarity 0.7302 NPC475133
Intermediate Similarity 0.722 NPC148124
Intermediate Similarity 0.7216 NPC93653
Intermediate Similarity 0.7196 NPC163829
Intermediate Similarity 0.7175 NPC118189
Intermediate Similarity 0.7175 NPC99724
Intermediate Similarity 0.7175 NPC128476
Intermediate Similarity 0.7169 NPC268223
Intermediate Similarity 0.715 NPC41216
Intermediate Similarity 0.7123 NPC10732
Intermediate Similarity 0.7117 NPC134702
Intermediate Similarity 0.7115 NPC1820
Intermediate Similarity 0.7098 NPC76478
Intermediate Similarity 0.7094 NPC98416
Intermediate Similarity 0.7093 NPC248903
Intermediate Similarity 0.7091 NPC114468
Intermediate Similarity 0.7083 NPC158551
Intermediate Similarity 0.708 NPC19175
Intermediate Similarity 0.7072 NPC313327
Intermediate Similarity 0.7072 NPC195636
Intermediate Similarity 0.7059 NPC148391
Intermediate Similarity 0.7059 NPC2905
Intermediate Similarity 0.7059 NPC55470
Intermediate Similarity 0.7048 NPC26928
Intermediate Similarity 0.7045 NPC127996
Intermediate Similarity 0.7045 NPC470482
Intermediate Similarity 0.7045 NPC470481
Intermediate Similarity 0.7044 NPC287152
Intermediate Similarity 0.7022 NPC46259
Intermediate Similarity 0.7012 NPC303374
Intermediate Similarity 0.7 NPC114039
Intermediate Similarity 0.7 NPC206109
Intermediate Similarity 0.7 NPC82541
Remote Similarity 0.6978 NPC476069
Remote Similarity 0.6974 NPC476436
Remote Similarity 0.6968 NPC116178
Remote Similarity 0.6959 NPC87714
Remote Similarity 0.6953 NPC291173
Remote Similarity 0.6946 NPC67978
Remote Similarity 0.6946 NPC303581
Remote Similarity 0.6937 NPC321166
Remote Similarity 0.6937 NPC217903
Remote Similarity 0.6936 NPC168922
Remote Similarity 0.6931 NPC86469
Remote Similarity 0.693 NPC122886
Remote Similarity 0.6923 NPC116007
Remote Similarity 0.6919 NPC226708
Remote Similarity 0.6916 NPC23080
Remote Similarity 0.6916 NPC193906
Remote Similarity 0.6912 NPC9475
Remote Similarity 0.6904 NPC1608
Remote Similarity 0.6895 NPC198160
Remote Similarity 0.6878 NPC308267
Remote Similarity 0.6872 NPC7560
Remote Similarity 0.6872 NPC22476
Remote Similarity 0.6867 NPC172222
Remote Similarity 0.6864 NPC330683
Remote Similarity 0.6864 NPC329567
Remote Similarity 0.6854 NPC469816
Remote Similarity 0.6854 NPC469815
Remote Similarity 0.685 NPC24954
Remote Similarity 0.6842 NPC83511
Remote Similarity 0.6824 NPC476429
Remote Similarity 0.6822 NPC33256
Remote Similarity 0.6818 NPC212123
Remote Similarity 0.6818 NPC478075
Remote Similarity 0.6812 NPC121400
Remote Similarity 0.6806 NPC207239
Remote Similarity 0.6804 NPC14339
Remote Similarity 0.6797 NPC13249
Remote Similarity 0.6792 NPC28510
Remote Similarity 0.6791 NPC472191
Remote Similarity 0.6787 NPC207873
Remote Similarity 0.6787 NPC100573
Remote Similarity 0.6782 NPC306669
Remote Similarity 0.6781 NPC217176
Remote Similarity 0.6779 NPC27887
Remote Similarity 0.6774 NPC127178
Remote Similarity 0.6773 NPC477161
Remote Similarity 0.6769 NPC470088
Remote Similarity 0.6766 NPC476220
Remote Similarity 0.6766 NPC160113
Remote Similarity 0.6754 NPC10653
Remote Similarity 0.6754 NPC318525
Remote Similarity 0.6745 NPC45389
Remote Similarity 0.6744 NPC125924
Remote Similarity 0.6742 NPC308943
Remote Similarity 0.6742 NPC16249
Remote Similarity 0.6741 NPC159815
Remote Similarity 0.6736 NPC469978
Remote Similarity 0.6729 NPC203972
Remote Similarity 0.6725 NPC329830
Remote Similarity 0.6724 NPC470480
Remote Similarity 0.6722 NPC107123
Remote Similarity 0.6717 NPC470708
Remote Similarity 0.6714 NPC203628
Remote Similarity 0.6713 NPC24228
Remote Similarity 0.6712 NPC15987
Remote Similarity 0.6712 NPC90185
Remote Similarity 0.6711 NPC30749
Remote Similarity 0.6708 NPC188400
Remote Similarity 0.6699 NPC8467
Remote Similarity 0.6698 NPC198401
Remote Similarity 0.6698 NPC477186
Remote Similarity 0.6698 NPC169387
Remote Similarity 0.6698 NPC477259
Remote Similarity 0.6695 NPC253675
Remote Similarity 0.6695 NPC246381
Remote Similarity 0.6682 NPC234933
Remote Similarity 0.6682 NPC473460
Remote Similarity 0.6682 NPC100863
Remote Similarity 0.6681 NPC285254
Remote Similarity 0.668 NPC477393
Remote Similarity 0.6667 NPC173250
Remote Similarity 0.6667 NPC474059
Remote Similarity 0.6667 NPC5630
Remote Similarity 0.6667 NPC477258
Remote Similarity 0.6667 NPC305542
Remote Similarity 0.6667 NPC321428
Remote Similarity 0.6653 NPC22481
Remote Similarity 0.6653 NPC476258
Remote Similarity 0.6653 NPC304837
Remote Similarity 0.6651 NPC270301
Remote Similarity 0.664 NPC120513
Remote Similarity 0.6639 NPC208364
Remote Similarity 0.6638 NPC231924
Remote Similarity 0.6638 NPC288110
Remote Similarity 0.6636 NPC474077
Remote Similarity 0.6634 NPC204867
Remote Similarity 0.6634 NPC135006
Remote Similarity 0.6633 NPC144691
Remote Similarity 0.6626 NPC477396
Remote Similarity 0.6622 NPC87413
Remote Similarity 0.6622 NPC80472
Remote Similarity 0.6622 NPC146418
Remote Similarity 0.662 NPC162694
Remote Similarity 0.6616 NPC119669
Remote Similarity 0.6611 NPC151171
Remote Similarity 0.6609 NPC174760
Remote Similarity 0.6608 NPC298449
Remote Similarity 0.6607 NPC85661
Remote Similarity 0.6607 NPC325297
Remote Similarity 0.6606 NPC112937
Remote Similarity 0.6606 NPC17677
Remote Similarity 0.6605 NPC204970
Remote Similarity 0.6604 NPC150308
Remote Similarity 0.6603 NPC35680
Remote Similarity 0.6603 NPC298320
Remote Similarity 0.6601 NPC153631
Remote Similarity 0.6597 NPC154922
Remote Similarity 0.6592 NPC222561
Remote Similarity 0.6591 NPC232600
Remote Similarity 0.659 NPC303214
Remote Similarity 0.6589 NPC166979
Remote Similarity 0.6587 NPC4669
Remote Similarity 0.6583 NPC41501
Remote Similarity 0.6581 NPC473458
Remote Similarity 0.6578 NPC474366
Remote Similarity 0.6574 NPC94499
Remote Similarity 0.6573 NPC18306
Remote Similarity 0.6571 NPC28368
Remote Similarity 0.6571 NPC134637
Remote Similarity 0.6569 NPC189903
Remote Similarity 0.6569 NPC182907
Remote Similarity 0.6569 NPC476569
Remote Similarity 0.6567 NPC115588
Remote Similarity 0.6565 NPC222046
Remote Similarity 0.6562 NPC46679
Remote Similarity 0.6561 NPC288759
Remote Similarity 0.6556 NPC210296
Remote Similarity 0.6555 NPC207721
Remote Similarity 0.6553 NPC471604
Remote Similarity 0.6549 NPC218303
Remote Similarity 0.6542 NPC166722
Remote Similarity 0.6535 NPC146976
Remote Similarity 0.6535 NPC189661
Remote Similarity 0.6533 NPC171882
Remote Similarity 0.6533 NPC471561
Remote Similarity 0.6533 NPC121510
Remote Similarity 0.6531 NPC270515

Drug Structure

External Identifiers

TTD   DAP000999
DrugBank   DB00827
ChEMBL   CHEMBL1208
IUPHAR/BPS  
PharmaGKB   PA449007
KEGG Drug   D00872
PubChem CID   2762
ChEBI   3716
CAS Number  28657-80-9

Drug Properties

Molecular Weight  262.06
ALogP  -0.546
MLogP  2.01
XLogP  1.419
HDA  5
HBD  1
Rotatable Bonds  4
TPSA  88.43
RO5 Violation  0