Drug Information

Drug ID:  NPD9284
Drug Name:  Nicotinyl Methylamide
Molecular Formula:  C7H8N2O
Canonical SMILES:  CN=C(c1cccnc1)O
Standard InCHI:  InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10)
Standard InCHIKey:  ZYVXHFWBYUDDBM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9284

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 NPC212125
High Similarity 0.9672 NPC306397
High Similarity 0.9512 NPC165370
High Similarity 0.9225 NPC29702
High Similarity 0.8613 NPC471323
High Similarity 0.8594 NPC151489
Intermediate Similarity 0.8462 NPC471311
Intermediate Similarity 0.8462 NPC471313
Intermediate Similarity 0.8417 NPC167400
Intermediate Similarity 0.8333 NPC76540
Intermediate Similarity 0.8279 NPC27802
Intermediate Similarity 0.8271 NPC315320
Intermediate Similarity 0.8175 NPC114310
Intermediate Similarity 0.8151 NPC138018
Intermediate Similarity 0.8102 NPC328029
Intermediate Similarity 0.8085 NPC159630
Intermediate Similarity 0.8085 NPC230085
Intermediate Similarity 0.8074 NPC324611
Intermediate Similarity 0.8015 NPC322488
Intermediate Similarity 0.7947 NPC98187
Intermediate Similarity 0.7941 NPC256893
Intermediate Similarity 0.7941 NPC174421
Intermediate Similarity 0.7933 NPC97367
Intermediate Similarity 0.7917 NPC112741
Intermediate Similarity 0.7914 NPC471312
Intermediate Similarity 0.7891 NPC263455
Intermediate Similarity 0.7881 NPC471178
Intermediate Similarity 0.7879 NPC290094
Intermediate Similarity 0.7857 NPC235843
Intermediate Similarity 0.7852 NPC113812
Intermediate Similarity 0.7833 NPC83987
Intermediate Similarity 0.7823 NPC107287
Intermediate Similarity 0.7823 NPC312860
Intermediate Similarity 0.7815 NPC473057
Intermediate Similarity 0.7778 NPC319456
Intermediate Similarity 0.7748 NPC471177
Intermediate Similarity 0.7748 NPC59779
Intermediate Similarity 0.7748 NPC124542
Intermediate Similarity 0.7746 NPC318935
Intermediate Similarity 0.7727 NPC265605
Intermediate Similarity 0.7727 NPC48564
Intermediate Similarity 0.7727 NPC182570
Intermediate Similarity 0.7712 NPC108469
Intermediate Similarity 0.7704 NPC202957
Intermediate Similarity 0.7704 NPC169625
Intermediate Similarity 0.7692 NPC240136
Intermediate Similarity 0.7692 NPC297486
Intermediate Similarity 0.7692 NPC471402
Intermediate Similarity 0.7681 NPC471322
Intermediate Similarity 0.7634 NPC91958
Intermediate Similarity 0.76 NPC231655
Intermediate Similarity 0.7591 NPC89490
Intermediate Similarity 0.7566 NPC131718
Intermediate Similarity 0.7536 NPC475090
Intermediate Similarity 0.7536 NPC475105
Intermediate Similarity 0.7536 NPC329896
Intermediate Similarity 0.7533 NPC63562
Intermediate Similarity 0.75 NPC143603
Intermediate Similarity 0.7484 NPC41717
Intermediate Similarity 0.7452 NPC273532
Intermediate Similarity 0.7451 NPC63338
Intermediate Similarity 0.7451 NPC322976
Intermediate Similarity 0.7451 NPC324203
Intermediate Similarity 0.7434 NPC132680
Intermediate Similarity 0.7434 NPC269919
Intermediate Similarity 0.7426 NPC27740
Intermediate Similarity 0.7426 NPC476322
Intermediate Similarity 0.7372 NPC166424
Intermediate Similarity 0.7372 NPC146373
Intermediate Similarity 0.7372 NPC245244
Intermediate Similarity 0.7365 NPC161292
Intermediate Similarity 0.7365 NPC302159
Intermediate Similarity 0.7365 NPC220523
Intermediate Similarity 0.7355 NPC102423
Intermediate Similarity 0.7338 NPC471589
Intermediate Similarity 0.7338 NPC25899
Intermediate Similarity 0.732 NPC212742
Intermediate Similarity 0.732 NPC129721
Intermediate Similarity 0.7312 NPC476419
Intermediate Similarity 0.7292 NPC65408
Intermediate Similarity 0.729 NPC71079
Intermediate Similarity 0.7284 NPC317010
Intermediate Similarity 0.7252 NPC473901
Intermediate Similarity 0.7244 NPC211187
Intermediate Similarity 0.7244 NPC474217
Intermediate Similarity 0.7244 NPC263439
Intermediate Similarity 0.7226 NPC46358
Intermediate Similarity 0.7205 NPC150048
Intermediate Similarity 0.7205 NPC203754
Intermediate Similarity 0.7197 NPC85918
Intermediate Similarity 0.7188 NPC313791
Intermediate Similarity 0.7181 NPC159856
Intermediate Similarity 0.7179 NPC48192
Intermediate Similarity 0.7171 NPC153769
Intermediate Similarity 0.717 NPC314940
Intermediate Similarity 0.717 NPC256828
Intermediate Similarity 0.717 NPC473764
Intermediate Similarity 0.7163 NPC476131
Intermediate Similarity 0.7153 NPC329825
Intermediate Similarity 0.7152 NPC207851
Intermediate Similarity 0.7152 NPC127730
Intermediate Similarity 0.7152 NPC278366
Intermediate Similarity 0.7143 NPC84268
Intermediate Similarity 0.7134 NPC162268
Intermediate Similarity 0.7133 NPC330326
Intermediate Similarity 0.7113 NPC69914
Intermediate Similarity 0.7113 NPC282398
Intermediate Similarity 0.7105 NPC105818
Intermediate Similarity 0.7105 NPC24678
Intermediate Similarity 0.7095 NPC60553
Intermediate Similarity 0.7091 NPC48938
Intermediate Similarity 0.7083 NPC472289
Intermediate Similarity 0.7067 NPC314372
Intermediate Similarity 0.7063 NPC101165
Intermediate Similarity 0.7059 NPC11863
Intermediate Similarity 0.7055 NPC96890
Intermediate Similarity 0.7051 NPC84508
Intermediate Similarity 0.7051 NPC230869
Intermediate Similarity 0.7048 NPC204717
Intermediate Similarity 0.7047 NPC190296
Intermediate Similarity 0.7039 NPC288445
Intermediate Similarity 0.7029 NPC56856
Intermediate Similarity 0.7021 NPC278451
Intermediate Similarity 0.7019 NPC158129
Intermediate Similarity 0.7019 NPC249614
Intermediate Similarity 0.7013 NPC469763
Intermediate Similarity 0.7013 NPC469765
Intermediate Similarity 0.7013 NPC469786
Intermediate Similarity 0.7013 NPC259644
Intermediate Similarity 0.7013 NPC25008
Intermediate Similarity 0.7013 NPC73952
Intermediate Similarity 0.7013 NPC469760
Intermediate Similarity 0.7006 NPC314002
Remote Similarity 0.6988 NPC220765
Remote Similarity 0.6968 NPC212376
Remote Similarity 0.6968 NPC70922
Remote Similarity 0.6968 NPC80597
Remote Similarity 0.6968 NPC75540
Remote Similarity 0.6968 NPC211572
Remote Similarity 0.6964 NPC171171
Remote Similarity 0.6962 NPC282231
Remote Similarity 0.6959 NPC280853
Remote Similarity 0.6951 NPC184964
Remote Similarity 0.6946 NPC284559
Remote Similarity 0.6939 NPC314102
Remote Similarity 0.6939 NPC251722
Remote Similarity 0.6923 NPC46580
Remote Similarity 0.6913 NPC285016
Remote Similarity 0.6913 NPC245657
Remote Similarity 0.6909 NPC164340
Remote Similarity 0.6899 NPC279918
Remote Similarity 0.6892 NPC471596
Remote Similarity 0.6871 NPC471294
Remote Similarity 0.6855 NPC177404
Remote Similarity 0.6846 NPC32002
Remote Similarity 0.6846 NPC316811
Remote Similarity 0.6846 NPC315348
Remote Similarity 0.6842 NPC467188
Remote Similarity 0.6832 NPC49954
Remote Similarity 0.6832 NPC160105
Remote Similarity 0.6832 NPC474561
Remote Similarity 0.6831 NPC135488
Remote Similarity 0.6825 NPC213774
Remote Similarity 0.6821 NPC329541
Remote Similarity 0.6821 NPC289786
Remote Similarity 0.6815 NPC141353
Remote Similarity 0.6815 NPC469785
Remote Similarity 0.6813 NPC311276
Remote Similarity 0.681 NPC252590
Remote Similarity 0.6788 NPC134586
Remote Similarity 0.6784 NPC44354
Remote Similarity 0.6776 NPC471598
Remote Similarity 0.6772 NPC469762
Remote Similarity 0.6768 NPC259545
Remote Similarity 0.6768 NPC314603
Remote Similarity 0.6766 NPC325705
Remote Similarity 0.6766 NPC52831
Remote Similarity 0.6753 NPC470111
Remote Similarity 0.6753 NPC105811
Remote Similarity 0.6753 NPC471957
Remote Similarity 0.6753 NPC477974
Remote Similarity 0.6752 NPC33229
Remote Similarity 0.6752 NPC209362
Remote Similarity 0.675 NPC47298
Remote Similarity 0.675 NPC315214
Remote Similarity 0.6748 NPC164664
Remote Similarity 0.6747 NPC211997
Remote Similarity 0.6746 NPC284678
Remote Similarity 0.6736 NPC313823
Remote Similarity 0.673 NPC92796
Remote Similarity 0.673 NPC135141
Remote Similarity 0.6728 NPC54988
Remote Similarity 0.6726 NPC161887
Remote Similarity 0.6726 NPC219963
Remote Similarity 0.6726 NPC266551
Remote Similarity 0.6711 NPC84911
Remote Similarity 0.6711 NPC150259
Remote Similarity 0.6708 NPC32028
Remote Similarity 0.6708 NPC194640
Remote Similarity 0.6708 NPC476118

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  136.06
ALogP  -0.3156
MLogP  1.9
XLogP  1.011
HDA  3
HBD  1
Rotatable Bonds  3
TPSA  45.48
RO5 Violation  0