Drug Information

Drug ID:  NPD9705
Drug Name:  NKP-46
Molecular Formula:  C9H7NO
Canonical SMILES:  [O-]c1cccc2c1nccc2
Standard InCHI:  InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H/p-1
Standard InCHIKey:  MCJGNVYPOGVAJF-UHFFFAOYSA-M
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9705

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 0.9608 NPC314940
High Similarity 0.9608 NPC473764
High Similarity 0.9172 NPC252590
High Similarity 0.8616 NPC118511
Intermediate Similarity 0.8424 NPC224764
Intermediate Similarity 0.84 NPC192315
Intermediate Similarity 0.8352 NPC476167
Intermediate Similarity 0.8323 NPC42979
Intermediate Similarity 0.8167 NPC476138
Intermediate Similarity 0.8167 NPC245816
Intermediate Similarity 0.8155 NPC184964
Intermediate Similarity 0.8077 NPC477113
Intermediate Similarity 0.8065 NPC60553
Intermediate Similarity 0.8059 NPC478032
Intermediate Similarity 0.7989 NPC477111
Intermediate Similarity 0.7967 NPC475774
Intermediate Similarity 0.7965 NPC220765
Intermediate Similarity 0.7933 NPC267928
Intermediate Similarity 0.7919 NPC204717
Intermediate Similarity 0.7891 NPC46358
Intermediate Similarity 0.7874 NPC42591
Intermediate Similarity 0.7874 NPC314002
Intermediate Similarity 0.784 NPC26872
Intermediate Similarity 0.7829 NPC171171
Intermediate Similarity 0.7802 NPC19872
Intermediate Similarity 0.7798 NPC44161
Intermediate Similarity 0.7778 NPC476287
Intermediate Similarity 0.7778 NPC150048
Intermediate Similarity 0.7778 NPC203754
Intermediate Similarity 0.7771 NPC59779
Intermediate Similarity 0.7771 NPC471177
Intermediate Similarity 0.7771 NPC177404
Intermediate Similarity 0.7771 NPC124542
Intermediate Similarity 0.7754 NPC185782
Intermediate Similarity 0.775 NPC220523
Intermediate Similarity 0.774 NPC296527
Intermediate Similarity 0.7735 NPC90229
Intermediate Similarity 0.7733 NPC96890
Intermediate Similarity 0.7709 NPC99666
Intermediate Similarity 0.7701 NPC18348
Intermediate Similarity 0.7697 NPC26850
Intermediate Similarity 0.7697 NPC144381
Intermediate Similarity 0.7697 NPC76748
Intermediate Similarity 0.7696 NPC477110
Intermediate Similarity 0.7679 NPC471178
Intermediate Similarity 0.7667 NPC329541
Intermediate Similarity 0.7654 NPC92111
Intermediate Similarity 0.7634 NPC165349
Intermediate Similarity 0.7634 NPC329708
Intermediate Similarity 0.7634 NPC47059
Intermediate Similarity 0.7634 NPC118832
Intermediate Similarity 0.7634 NPC274291
Intermediate Similarity 0.7634 NPC264166
Intermediate Similarity 0.7632 NPC26679
Intermediate Similarity 0.7622 NPC470678
Intermediate Similarity 0.7611 NPC324149
Intermediate Similarity 0.7609 NPC315957
Intermediate Similarity 0.7609 NPC176538
Intermediate Similarity 0.7609 NPC234197
Intermediate Similarity 0.7605 NPC25899
Intermediate Similarity 0.7597 NPC174421
Intermediate Similarity 0.7584 NPC46580
Intermediate Similarity 0.7569 NPC230403
Intermediate Similarity 0.7569 NPC307963
Intermediate Similarity 0.756 NPC48192
Intermediate Similarity 0.7557 NPC48938
Intermediate Similarity 0.7542 NPC242928
Intermediate Similarity 0.7541 NPC77555
Intermediate Similarity 0.754 NPC470500
Intermediate Similarity 0.7527 NPC211813
Intermediate Similarity 0.7527 NPC326634
Intermediate Similarity 0.7526 NPC5145
Intermediate Similarity 0.7515 NPC473057
Intermediate Similarity 0.7515 NPC97367
Intermediate Similarity 0.7514 NPC312872
Intermediate Similarity 0.7514 NPC195268
Intermediate Similarity 0.7514 NPC284678
Intermediate Similarity 0.7514 NPC133140
Intermediate Similarity 0.7513 NPC8022
Intermediate Similarity 0.7513 NPC470799
Intermediate Similarity 0.7513 NPC287208
Intermediate Similarity 0.75 NPC162530
Intermediate Similarity 0.75 NPC131718
Intermediate Similarity 0.75 NPC474798
Intermediate Similarity 0.7487 NPC292958
Intermediate Similarity 0.7486 NPC251090
Intermediate Similarity 0.7486 NPC222018
Intermediate Similarity 0.7484 NPC256893
Intermediate Similarity 0.747 NPC63562
Intermediate Similarity 0.7459 NPC287437
Intermediate Similarity 0.7447 NPC475070
Intermediate Similarity 0.7446 NPC156704
Intermediate Similarity 0.7419 NPC45459
Intermediate Similarity 0.7419 NPC315491
Intermediate Similarity 0.7412 NPC102423
Intermediate Similarity 0.7403 NPC3715
Intermediate Similarity 0.7385 NPC473513
Intermediate Similarity 0.7381 NPC132680
Intermediate Similarity 0.7381 NPC269919
Intermediate Similarity 0.738 NPC232727
Intermediate Similarity 0.7377 NPC198673
Intermediate Similarity 0.7374 NPC20249
Intermediate Similarity 0.7368 NPC193238
Intermediate Similarity 0.7366 NPC476578
Intermediate Similarity 0.7366 NPC4071
Intermediate Similarity 0.7366 NPC476582
Intermediate Similarity 0.735 NPC103687
Intermediate Similarity 0.735 NPC132631
Intermediate Similarity 0.7348 NPC32771
Intermediate Similarity 0.7348 NPC230805
Intermediate Similarity 0.7347 NPC173080
Intermediate Similarity 0.7341 NPC476518
Intermediate Similarity 0.7341 NPC164664
Intermediate Similarity 0.7333 NPC314573
Intermediate Similarity 0.7333 NPC142901
Intermediate Similarity 0.733 NPC82548
Intermediate Similarity 0.7329 NPC318935
Intermediate Similarity 0.7326 NPC213308
Intermediate Similarity 0.7318 NPC284559
Intermediate Similarity 0.7316 NPC476124
Intermediate Similarity 0.7316 NPC476121
Intermediate Similarity 0.7303 NPC266551
Intermediate Similarity 0.7303 NPC206201
Intermediate Similarity 0.7303 NPC161887
Intermediate Similarity 0.7303 NPC219963
Intermediate Similarity 0.7302 NPC53144
Intermediate Similarity 0.7299 NPC14651
Intermediate Similarity 0.7299 NPC121658
Intermediate Similarity 0.7297 NPC242209
Intermediate Similarity 0.7294 NPC63338
Intermediate Similarity 0.7294 NPC324203
Intermediate Similarity 0.7294 NPC322976
Intermediate Similarity 0.7283 NPC106937
Intermediate Similarity 0.7263 NPC285558
Intermediate Similarity 0.7263 NPC36229
Intermediate Similarity 0.7263 NPC16452
Intermediate Similarity 0.7263 NPC476581
Intermediate Similarity 0.7263 NPC176127
Intermediate Similarity 0.7257 NPC111624
Intermediate Similarity 0.7254 NPC309845
Intermediate Similarity 0.725 NPC314102
Intermediate Similarity 0.725 NPC251722
Intermediate Similarity 0.7247 NPC222592
Intermediate Similarity 0.7247 NPC168486
Intermediate Similarity 0.7246 NPC153769
Intermediate Similarity 0.7239 NPC470404
Intermediate Similarity 0.7239 NPC470403
Intermediate Similarity 0.7239 NPC470394
Intermediate Similarity 0.7234 NPC477019
Intermediate Similarity 0.7225 NPC323345
Intermediate Similarity 0.7225 NPC470164
Intermediate Similarity 0.7225 NPC41717
Intermediate Similarity 0.7225 NPC108469
Intermediate Similarity 0.7222 NPC17565
Intermediate Similarity 0.7219 NPC141353
Intermediate Similarity 0.7219 NPC239954
Intermediate Similarity 0.7219 NPC168911
Intermediate Similarity 0.7219 NPC212213
Intermediate Similarity 0.7216 NPC208284
Intermediate Similarity 0.7211 NPC200836
Intermediate Similarity 0.7209 NPC263439
Intermediate Similarity 0.7209 NPC211187
Intermediate Similarity 0.7208 NPC151489
Intermediate Similarity 0.7206 NPC477112
Intermediate Similarity 0.7206 NPC476451
Intermediate Similarity 0.7205 NPC169433
Intermediate Similarity 0.7204 NPC13880
Intermediate Similarity 0.72 NPC91958
Intermediate Similarity 0.72 NPC143603
Intermediate Similarity 0.72 NPC158129
Intermediate Similarity 0.7193 NPC279918
Intermediate Similarity 0.7193 NPC322644
Intermediate Similarity 0.7191 NPC72980
Intermediate Similarity 0.7191 NPC88363
Intermediate Similarity 0.7188 NPC328029
Intermediate Similarity 0.7181 NPC128823
Intermediate Similarity 0.7176 NPC129721
Intermediate Similarity 0.7171 NPC101543
Intermediate Similarity 0.7171 NPC469554
Intermediate Similarity 0.7166 NPC224928
Intermediate Similarity 0.7165 NPC470020
Intermediate Similarity 0.7164 NPC65277
Intermediate Similarity 0.7159 NPC313791
Intermediate Similarity 0.7157 NPC288349
Intermediate Similarity 0.7152 NPC324611
Intermediate Similarity 0.7152 NPC82295
Intermediate Similarity 0.7152 NPC159856
Intermediate Similarity 0.7152 NPC470395
Intermediate Similarity 0.7151 NPC282231
Intermediate Similarity 0.7143 NPC204385
Intermediate Similarity 0.7135 NPC230869
Intermediate Similarity 0.7127 NPC207851
Intermediate Similarity 0.7113 NPC174758
Intermediate Similarity 0.7112 NPC194967
Intermediate Similarity 0.7108 NPC161292
Intermediate Similarity 0.7105 NPC31930
Intermediate Similarity 0.7104 NPC66083
Intermediate Similarity 0.7101 NPC25008
Intermediate Similarity 0.7101 NPC73952
Intermediate Similarity 0.7101 NPC469760

Drug Structure

External Identifiers

TTD   DIB008418
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  144.04
ALogP  -0.7941
MLogP  2.23
XLogP  1.854
HDA  1
HBD  0
Rotatable Bonds  1
TPSA  35.95
RO5 Violation  0