Drug Information

Drug ID:  NPD460
Drug Name:  piroximone
Molecular Formula:  C11H11N3O2
Canonical SMILES:  CCc1nc([nH]c1C(=O)c1ccncc1)O
Standard InCHI:  InChI=1S/C11H11N3O2/c1-2-8-9(14-11(16)13-8)10(15)7-3-5-12-6-4-7/h3-6H,2H2,1H3,(H2,13,14,16)
Standard InCHIKey:  OQGWJZOWLHWFME-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD460

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 0.8586 NPC116555
Intermediate Similarity 0.815 NPC267811
Intermediate Similarity 0.8142 NPC191415
Intermediate Similarity 0.7812 NPC326422
Intermediate Similarity 0.7807 NPC102755
Intermediate Similarity 0.7689 NPC470323
Intermediate Similarity 0.7653 NPC935
Intermediate Similarity 0.7653 NPC267078
Intermediate Similarity 0.7632 NPC476341
Intermediate Similarity 0.7617 NPC474357
Intermediate Similarity 0.7606 NPC73994
Intermediate Similarity 0.7569 NPC470680
Intermediate Similarity 0.7569 NPC100104
Intermediate Similarity 0.7561 NPC282247
Intermediate Similarity 0.755 NPC317701
Intermediate Similarity 0.7541 NPC233380
Intermediate Similarity 0.754 NPC151635
Intermediate Similarity 0.7525 NPC237414
Intermediate Similarity 0.7514 NPC474492
Intermediate Similarity 0.75 NPC83774
Intermediate Similarity 0.7487 NPC317054
Intermediate Similarity 0.7486 NPC251391
Intermediate Similarity 0.7458 NPC105811
Intermediate Similarity 0.7444 NPC209362
Intermediate Similarity 0.7443 NPC467188
Intermediate Similarity 0.743 NPC70406
Intermediate Similarity 0.7421 NPC61011
Intermediate Similarity 0.7416 NPC282531
Intermediate Similarity 0.7407 NPC240088
Intermediate Similarity 0.7407 NPC284775
Intermediate Similarity 0.7407 NPC473380
Intermediate Similarity 0.7396 NPC477003
Intermediate Similarity 0.7385 NPC324091
Intermediate Similarity 0.7368 NPC265710
Intermediate Similarity 0.7337 NPC167710
Intermediate Similarity 0.733 NPC16659
Intermediate Similarity 0.7318 NPC123906
Intermediate Similarity 0.7306 NPC46895
Intermediate Similarity 0.7286 NPC79356
Intermediate Similarity 0.7286 NPC102592
Intermediate Similarity 0.7283 NPC470204
Intermediate Similarity 0.7278 NPC473878
Intermediate Similarity 0.7278 NPC313889
Intermediate Similarity 0.7268 NPC213914
Intermediate Similarity 0.7261 NPC74619
Intermediate Similarity 0.7259 NPC476460
Intermediate Similarity 0.7258 NPC42372
Intermediate Similarity 0.7249 NPC252572
Intermediate Similarity 0.7243 NPC470203
Intermediate Similarity 0.7238 NPC217021
Intermediate Similarity 0.7238 NPC470679
Intermediate Similarity 0.7238 NPC472260
Intermediate Similarity 0.7231 NPC476527
Intermediate Similarity 0.7217 NPC63109
Intermediate Similarity 0.7211 NPC293216
Intermediate Similarity 0.7204 NPC27041
Intermediate Similarity 0.7182 NPC471655
Intermediate Similarity 0.7181 NPC70949
Intermediate Similarity 0.7178 NPC81535
Intermediate Similarity 0.7158 NPC229055
Intermediate Similarity 0.715 NPC266249
Intermediate Similarity 0.7135 NPC300238
Intermediate Similarity 0.7135 NPC80681
Intermediate Similarity 0.7129 NPC54981
Intermediate Similarity 0.7126 NPC291517
Intermediate Similarity 0.7121 NPC154339
Intermediate Similarity 0.712 NPC74357
Intermediate Similarity 0.7112 NPC265100
Intermediate Similarity 0.7112 NPC274981
Intermediate Similarity 0.711 NPC156003
Intermediate Similarity 0.71 NPC304203
Intermediate Similarity 0.71 NPC267343
Intermediate Similarity 0.7097 NPC122141
Intermediate Similarity 0.7095 NPC470702
Intermediate Similarity 0.7095 NPC473218
Intermediate Similarity 0.7087 NPC472259
Intermediate Similarity 0.7083 NPC229893
Intermediate Similarity 0.7081 NPC123839
Intermediate Similarity 0.7074 NPC115232
Intermediate Similarity 0.7072 NPC179787
Intermediate Similarity 0.7072 NPC201380
Intermediate Similarity 0.7065 NPC202812
Intermediate Similarity 0.7062 NPC470703
Intermediate Similarity 0.7062 NPC40530
Intermediate Similarity 0.7062 NPC314281
Intermediate Similarity 0.7059 NPC242116
Intermediate Similarity 0.7056 NPC135601
Intermediate Similarity 0.7056 NPC141612
Intermediate Similarity 0.7056 NPC62749
Intermediate Similarity 0.7056 NPC17273
Intermediate Similarity 0.7047 NPC157583
Intermediate Similarity 0.7041 NPC21429
Intermediate Similarity 0.7041 NPC285923
Intermediate Similarity 0.7033 NPC321911
Intermediate Similarity 0.7031 NPC469529
Intermediate Similarity 0.7026 NPC470677
Intermediate Similarity 0.7024 NPC469308
Intermediate Similarity 0.7017 NPC63545
Intermediate Similarity 0.7016 NPC54214
Intermediate Similarity 0.7014 NPC471603
Intermediate Similarity 0.7014 NPC471193
Intermediate Similarity 0.7014 NPC471194
Intermediate Similarity 0.7005 NPC133003
Intermediate Similarity 0.7 NPC69843
Remote Similarity 0.6986 NPC71238
Remote Similarity 0.6978 NPC114209
Remote Similarity 0.6978 NPC100726
Remote Similarity 0.6978 NPC469811
Remote Similarity 0.6976 NPC121327
Remote Similarity 0.6974 NPC477042
Remote Similarity 0.6968 NPC225018
Remote Similarity 0.6965 NPC216550
Remote Similarity 0.6947 NPC49217
Remote Similarity 0.6947 NPC114637
Remote Similarity 0.6946 NPC128244
Remote Similarity 0.6944 NPC190296
Remote Similarity 0.6935 NPC278434
Remote Similarity 0.6934 NPC153980
Remote Similarity 0.6934 NPC6865
Remote Similarity 0.6931 NPC478184
Remote Similarity 0.6931 NPC188821
Remote Similarity 0.6931 NPC474180
Remote Similarity 0.6927 NPC477004
Remote Similarity 0.6916 NPC147983
Remote Similarity 0.6916 NPC177996
Remote Similarity 0.6912 NPC475286
Remote Similarity 0.6912 NPC174281
Remote Similarity 0.6908 NPC143977
Remote Similarity 0.6898 NPC236711
Remote Similarity 0.6888 NPC88110
Remote Similarity 0.6887 NPC72956
Remote Similarity 0.6881 NPC47190
Remote Similarity 0.6878 NPC474916
Remote Similarity 0.6868 NPC314372
Remote Similarity 0.6863 NPC476526
Remote Similarity 0.6863 NPC48117
Remote Similarity 0.6863 NPC329765
Remote Similarity 0.6862 NPC293487
Remote Similarity 0.6861 NPC207686
Remote Similarity 0.6854 NPC118940
Remote Similarity 0.6851 NPC42483
Remote Similarity 0.6849 NPC122436
Remote Similarity 0.6845 NPC19696
Remote Similarity 0.6845 NPC136957
Remote Similarity 0.6842 NPC478182
Remote Similarity 0.6842 NPC295452
Remote Similarity 0.6842 NPC171393
Remote Similarity 0.6839 NPC262338
Remote Similarity 0.6837 NPC11126
Remote Similarity 0.6832 NPC138370
Remote Similarity 0.6832 NPC210123
Remote Similarity 0.6831 NPC77101
Remote Similarity 0.6828 NPC325903
Remote Similarity 0.6827 NPC57398
Remote Similarity 0.6816 NPC209917
Remote Similarity 0.6796 NPC474389
Remote Similarity 0.6789 NPC214106
Remote Similarity 0.6786 NPC200553
Remote Similarity 0.6786 NPC237188
Remote Similarity 0.6786 NPC279189
Remote Similarity 0.6784 NPC110158
Remote Similarity 0.6776 NPC159856
Remote Similarity 0.6771 NPC41717
Remote Similarity 0.6771 NPC56233
Remote Similarity 0.6768 NPC307191
Remote Similarity 0.6763 NPC284338
Remote Similarity 0.6761 NPC471322
Remote Similarity 0.676 NPC472288
Remote Similarity 0.6759 NPC322064
Remote Similarity 0.6759 NPC471192
Remote Similarity 0.6753 NPC477418
Remote Similarity 0.6753 NPC477420
Remote Similarity 0.6751 NPC55772
Remote Similarity 0.6751 NPC248041
Remote Similarity 0.6751 NPC126709
Remote Similarity 0.6748 NPC106824
Remote Similarity 0.6746 NPC106757
Remote Similarity 0.6745 NPC476524
Remote Similarity 0.6742 NPC23215
Remote Similarity 0.6739 NPC143872
Remote Similarity 0.6735 NPC267885
Remote Similarity 0.6733 NPC255909
Remote Similarity 0.673 NPC472065
Remote Similarity 0.6726 NPC174489
Remote Similarity 0.672 NPC105818
Remote Similarity 0.672 NPC24678
Remote Similarity 0.6719 NPC2414
Remote Similarity 0.6717 NPC24864
Remote Similarity 0.6716 NPC94752
Remote Similarity 0.6704 NPC216159
Remote Similarity 0.6703 NPC470111
Remote Similarity 0.6703 NPC471957
Remote Similarity 0.6702 NPC478185
Remote Similarity 0.6702 NPC120070
Remote Similarity 0.6701 NPC471943
Remote Similarity 0.6701 NPC32534
Remote Similarity 0.67 NPC228835
Remote Similarity 0.6696 NPC162002
Remote Similarity 0.6685 NPC204141
Remote Similarity 0.6684 NPC149155

Drug Structure

External Identifiers

TTD   DIB007894
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  217.09
ALogP  -1.3812
MLogP  2.12
XLogP  0.885
HDA  4
HBD  2
Rotatable Bonds  5
TPSA  78.87
RO5 Violation  0