Drug Information

Drug ID:  NPD9507
Drug Name:  Paracetamol
Molecular Formula:  C8H9NO2
Canonical SMILES:  Oc1ccc(cc1)N=C(O)C
Standard InCHI:  InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
Standard InCHIKey:  RZVAJINKPMORJF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9507

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 NPC76327
High Similarity 0.9231 NPC255721
High Similarity 0.9143 NPC9336
High Similarity 0.8889 NPC264782
High Similarity 0.8824 NPC70201
High Similarity 0.8505 NPC44836
Intermediate Similarity 0.8131 NPC311660
Intermediate Similarity 0.807 NPC222982
Intermediate Similarity 0.8056 NPC256838
Intermediate Similarity 0.776 NPC313466
Intermediate Similarity 0.7739 NPC322735
Intermediate Similarity 0.7672 NPC329190
Intermediate Similarity 0.7647 NPC321869
Intermediate Similarity 0.7632 NPC329358
Intermediate Similarity 0.76 NPC15839
Intermediate Similarity 0.7576 NPC307456
Intermediate Similarity 0.75 NPC91615
Intermediate Similarity 0.7477 NPC178902
Intermediate Similarity 0.7388 NPC323798
Intermediate Similarity 0.7383 NPC476483
Intermediate Similarity 0.7339 NPC315632
Intermediate Similarity 0.7328 NPC166667
Intermediate Similarity 0.7293 NPC314113
Intermediate Similarity 0.7281 NPC231705
Intermediate Similarity 0.7217 NPC142297
Intermediate Similarity 0.7179 NPC226914
Intermediate Similarity 0.7121 NPC122542
Intermediate Similarity 0.7099 NPC297584
Intermediate Similarity 0.7094 NPC258056
Intermediate Similarity 0.709 NPC204156
Intermediate Similarity 0.7068 NPC126637
Intermediate Similarity 0.7034 NPC474149
Intermediate Similarity 0.7018 NPC178681
Intermediate Similarity 0.7015 NPC469828
Intermediate Similarity 0.7009 NPC24101
Intermediate Similarity 0.7009 NPC96224
Intermediate Similarity 0.7 NPC473987
Remote Similarity 0.6963 NPC47986
Remote Similarity 0.6944 NPC78154
Remote Similarity 0.6942 NPC118202
Remote Similarity 0.6923 NPC37584
Remote Similarity 0.6906 NPC473769
Remote Similarity 0.6885 NPC317254
Remote Similarity 0.6884 NPC470394
Remote Similarity 0.6884 NPC470403
Remote Similarity 0.6884 NPC470404
Remote Similarity 0.6869 NPC100980
Remote Similarity 0.6864 NPC153690
Remote Similarity 0.6857 NPC315829
Remote Similarity 0.6842 NPC29601
Remote Similarity 0.6842 NPC155847
Remote Similarity 0.6842 NPC289381
Remote Similarity 0.6829 NPC147957
Remote Similarity 0.6814 NPC107619
Remote Similarity 0.6803 NPC142599
Remote Similarity 0.6791 NPC317872
Remote Similarity 0.6786 NPC470395
Remote Similarity 0.6783 NPC184161
Remote Similarity 0.6767 NPC208022
Remote Similarity 0.6765 NPC65517
Remote Similarity 0.6746 NPC17388
Remote Similarity 0.6746 NPC471308
Remote Similarity 0.6746 NPC160120
Remote Similarity 0.6746 NPC289330
Remote Similarity 0.6746 NPC53596
Remote Similarity 0.6744 NPC205946
Remote Similarity 0.6736 NPC36168
Remote Similarity 0.6718 NPC259098
Remote Similarity 0.6718 NPC197680
Remote Similarity 0.6712 NPC70549
Remote Similarity 0.6694 NPC82963
Remote Similarity 0.6693 NPC473051
Remote Similarity 0.6693 NPC473050
Remote Similarity 0.6691 NPC316574
Remote Similarity 0.669 NPC257142
Remote Similarity 0.6667 NPC319950
Remote Similarity 0.6667 NPC470550
Remote Similarity 0.6667 NPC283760
Remote Similarity 0.6667 NPC205652
Remote Similarity 0.6644 NPC112766
Remote Similarity 0.664 NPC38458
Remote Similarity 0.664 NPC311737
Remote Similarity 0.6636 NPC92689
Remote Similarity 0.6622 NPC306366
Remote Similarity 0.6615 NPC325013
Remote Similarity 0.6609 NPC125732
Remote Similarity 0.6589 NPC471315
Remote Similarity 0.6589 NPC471314
Remote Similarity 0.6574 NPC248817
Remote Similarity 0.6571 NPC204932
Remote Similarity 0.6552 NPC219383
Remote Similarity 0.6552 NPC284348
Remote Similarity 0.6549 NPC146370
Remote Similarity 0.6531 NPC10730
Remote Similarity 0.6531 NPC10875
Remote Similarity 0.6529 NPC172046
Remote Similarity 0.6529 NPC316052
Remote Similarity 0.6525 NPC260601
Remote Similarity 0.6514 NPC197783
Remote Similarity 0.6512 NPC474862
Remote Similarity 0.651 NPC19023
Remote Similarity 0.6509 NPC270094
Remote Similarity 0.6508 NPC283468
Remote Similarity 0.6503 NPC161292
Remote Similarity 0.65 NPC470090
Remote Similarity 0.6484 NPC41801
Remote Similarity 0.6481 NPC265146
Remote Similarity 0.6481 NPC124436
Remote Similarity 0.648 NPC37302
Remote Similarity 0.6471 NPC184437
Remote Similarity 0.6467 NPC475983
Remote Similarity 0.6467 NPC72291
Remote Similarity 0.6457 NPC122009
Remote Similarity 0.6455 NPC23167
Remote Similarity 0.6455 NPC184169
Remote Similarity 0.6455 NPC407
Remote Similarity 0.6455 NPC307235
Remote Similarity 0.6454 NPC60553
Remote Similarity 0.6444 NPC255550
Remote Similarity 0.6444 NPC308885
Remote Similarity 0.6443 NPC291359
Remote Similarity 0.6441 NPC68055
Remote Similarity 0.6429 NPC258992
Remote Similarity 0.6422 NPC286904
Remote Similarity 0.6422 NPC175313
Remote Similarity 0.6422 NPC150837
Remote Similarity 0.6419 NPC477889
Remote Similarity 0.6415 NPC4154
Remote Similarity 0.6406 NPC268572
Remote Similarity 0.64 NPC235628
Remote Similarity 0.64 NPC25899
Remote Similarity 0.64 NPC231862
Remote Similarity 0.6397 NPC130595
Remote Similarity 0.6397 NPC93882
Remote Similarity 0.6396 NPC27974
Remote Similarity 0.6396 NPC25493
Remote Similarity 0.6396 NPC157213
Remote Similarity 0.6396 NPC104216
Remote Similarity 0.6396 NPC113460
Remote Similarity 0.6389 NPC220523
Remote Similarity 0.6385 NPC27581
Remote Similarity 0.6383 NPC476462
Remote Similarity 0.6382 NPC204179
Remote Similarity 0.6379 NPC315921
Remote Similarity 0.6376 NPC116573
Remote Similarity 0.6373 NPC66775
Remote Similarity 0.6372 NPC270547
Remote Similarity 0.6364 NPC473874
Remote Similarity 0.6364 NPC155393
Remote Similarity 0.6358 NPC191863
Remote Similarity 0.6358 NPC133470
Remote Similarity 0.6358 NPC289776
Remote Similarity 0.6357 NPC314252
Remote Similarity 0.6357 NPC252817
Remote Similarity 0.635 NPC6854
Remote Similarity 0.635 NPC285078
Remote Similarity 0.635 NPC313737
Remote Similarity 0.6349 NPC303370
Remote Similarity 0.6339 NPC123273
Remote Similarity 0.6339 NPC258219
Remote Similarity 0.6339 NPC242240
Remote Similarity 0.6339 NPC98772
Remote Similarity 0.6339 NPC318325
Remote Similarity 0.6339 NPC280347
Remote Similarity 0.6339 NPC177420
Remote Similarity 0.6337 NPC215445
Remote Similarity 0.6327 NPC153769
Remote Similarity 0.6316 NPC476249
Remote Similarity 0.6316 NPC151489
Remote Similarity 0.6316 NPC181709
Remote Similarity 0.6316 NPC325292
Remote Similarity 0.6316 NPC138117
Remote Similarity 0.6316 NPC139506
Remote Similarity 0.6316 NPC292143
Remote Similarity 0.6312 NPC280853
Remote Similarity 0.6311 NPC146530
Remote Similarity 0.6304 NPC218530
Remote Similarity 0.6301 NPC144691
Remote Similarity 0.6296 NPC226662
Remote Similarity 0.629 NPC166837
Remote Similarity 0.629 NPC227553
Remote Similarity 0.629 NPC163674
Remote Similarity 0.6283 NPC300017
Remote Similarity 0.6283 NPC55561
Remote Similarity 0.6283 NPC151764
Remote Similarity 0.6279 NPC43275
Remote Similarity 0.6277 NPC174421
Remote Similarity 0.6268 NPC285016
Remote Similarity 0.6268 NPC245657
Remote Similarity 0.626 NPC290566
Remote Similarity 0.626 NPC145638
Remote Similarity 0.626 NPC142577
Remote Similarity 0.6259 NPC159589
Remote Similarity 0.625 NPC79911
Remote Similarity 0.625 NPC323948
Remote Similarity 0.625 NPC19680
Remote Similarity 0.625 NPC48192
Remote Similarity 0.625 NPC57105
Remote Similarity 0.6241 NPC181526
Remote Similarity 0.6241 NPC471596

Drug Structure

External Identifiers

TTD   DAP000776; DAP001436
DrugBank   DB00316
ChEMBL   CHEMBL112
IUPHAR/BPS   5239
PharmaGKB   PA448015
KEGG Drug   D00217
PubChem CID   1983
ChEBI   46195
CAS Number  103-90-2

Drug Properties

Molecular Weight  151.06
ALogP  -0.532
MLogP  2.01
XLogP  1.666
HDA  2
HBD  2
Rotatable Bonds  4
TPSA  52.82
RO5 Violation  0