Drug Information

Drug ID:  NPD254
Drug Name:  Phenacetin
Molecular Formula:  C10H13NO2
Canonical SMILES:  CCOc1ccc(cc1)N=C(O)C
Standard InCHI:  InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
Standard InCHIKey:  CPJSUEIXXCENMM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD254

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 0.9633 NPC264782
High Similarity 0.8595 NPC315632
High Similarity 0.8571 NPC76327
Intermediate Similarity 0.8189 NPC473987
Intermediate Similarity 0.8015 NPC473769
Intermediate Similarity 0.8 NPC297584
Intermediate Similarity 0.7949 NPC255721
Intermediate Similarity 0.7881 NPC9336
Intermediate Similarity 0.7881 NPC226914
Intermediate Similarity 0.7652 NPC208022
Intermediate Similarity 0.7576 NPC313466
Intermediate Similarity 0.7569 NPC112766
Intermediate Similarity 0.7565 NPC70201
Intermediate Similarity 0.7482 NPC260601
Intermediate Similarity 0.7429 NPC473874
Intermediate Similarity 0.7415 NPC19023
Intermediate Similarity 0.7398 NPC322735
Intermediate Similarity 0.7397 NPC70549
Intermediate Similarity 0.7339 NPC329190
Intermediate Similarity 0.7338 NPC476462
Intermediate Similarity 0.7333 NPC44836
Intermediate Similarity 0.7266 NPC263835
Intermediate Similarity 0.7266 NPC53596
Intermediate Similarity 0.7266 NPC314113
Intermediate Similarity 0.7266 NPC289330
Intermediate Similarity 0.7266 NPC471308
Intermediate Similarity 0.7266 NPC160120
Intermediate Similarity 0.7266 NPC17388
Intermediate Similarity 0.725 NPC41594
Intermediate Similarity 0.7188 NPC256369
Intermediate Similarity 0.7181 NPC306366
Intermediate Similarity 0.7181 NPC231862
Intermediate Similarity 0.7168 NPC318429
Intermediate Similarity 0.7099 NPC471315
Intermediate Similarity 0.7099 NPC471314
Intermediate Similarity 0.7095 NPC315257
Intermediate Similarity 0.7094 NPC313918
Intermediate Similarity 0.7042 NPC168750
Intermediate Similarity 0.702 NPC57105
Intermediate Similarity 0.7016 NPC329358
Intermediate Similarity 0.7008 NPC222982
Intermediate Similarity 0.7 NPC311660
Remote Similarity 0.6993 NPC314861
Remote Similarity 0.6992 NPC146530
Remote Similarity 0.698 NPC10875
Remote Similarity 0.698 NPC10730
Remote Similarity 0.6953 NPC258992
Remote Similarity 0.6942 NPC256838
Remote Similarity 0.6928 NPC204179
Remote Similarity 0.6899 NPC323948
Remote Similarity 0.6892 NPC219383
Remote Similarity 0.6881 NPC307456
Remote Similarity 0.6875 NPC303370
Remote Similarity 0.6825 NPC166837
Remote Similarity 0.6818 NPC70172
Remote Similarity 0.6789 NPC124576
Remote Similarity 0.6786 NPC125306
Remote Similarity 0.6786 NPC23837
Remote Similarity 0.6777 NPC51633
Remote Similarity 0.6763 NPC471953
Remote Similarity 0.6763 NPC274732
Remote Similarity 0.6763 NPC470392
Remote Similarity 0.6761 NPC476475
Remote Similarity 0.6757 NPC15839
Remote Similarity 0.675 NPC132725
Remote Similarity 0.675 NPC314803
Remote Similarity 0.6742 NPC41801
Remote Similarity 0.6741 NPC325013
Remote Similarity 0.6721 NPC192596
Remote Similarity 0.6719 NPC26524
Remote Similarity 0.6696 NPC157213
Remote Similarity 0.6691 NPC255550
Remote Similarity 0.6691 NPC308885
Remote Similarity 0.6667 NPC83289
Remote Similarity 0.6667 NPC43275
Remote Similarity 0.6667 NPC321869
Remote Similarity 0.6667 NPC212850
Remote Similarity 0.6667 NPC189724
Remote Similarity 0.6667 NPC108875
Remote Similarity 0.6667 NPC38079
Remote Similarity 0.6667 NPC211218
Remote Similarity 0.6643 NPC130595
Remote Similarity 0.6643 NPC93882
Remote Similarity 0.6626 NPC469831
Remote Similarity 0.6623 NPC285635
Remote Similarity 0.6623 NPC235628
Remote Similarity 0.6618 NPC95733
Remote Similarity 0.6618 NPC62101
Remote Similarity 0.6614 NPC95977
Remote Similarity 0.6613 NPC17537
Remote Similarity 0.6613 NPC470393
Remote Similarity 0.6612 NPC307039
Remote Similarity 0.661 NPC476483
Remote Similarity 0.6609 NPC206876
Remote Similarity 0.6596 NPC91615
Remote Similarity 0.6596 NPC6854
Remote Similarity 0.6596 NPC313737
Remote Similarity 0.6596 NPC169766
Remote Similarity 0.6596 NPC285078
Remote Similarity 0.6581 NPC315498
Remote Similarity 0.6581 NPC230942
Remote Similarity 0.656 NPC473653
Remote Similarity 0.6549 NPC218530
Remote Similarity 0.6547 NPC471306
Remote Similarity 0.6547 NPC471321
Remote Similarity 0.6543 NPC316161
Remote Similarity 0.6541 NPC310894
Remote Similarity 0.6531 NPC323798
Remote Similarity 0.6522 NPC290069
Remote Similarity 0.6513 NPC26872
Remote Similarity 0.6508 NPC194034
Remote Similarity 0.6508 NPC186469
Remote Similarity 0.6496 NPC302546
Remote Similarity 0.6486 NPC247298
Remote Similarity 0.6483 NPC36434
Remote Similarity 0.6481 NPC283152
Remote Similarity 0.6481 NPC315631
Remote Similarity 0.6481 NPC220560
Remote Similarity 0.648 NPC8302
Remote Similarity 0.648 NPC42383
Remote Similarity 0.6475 NPC100870
Remote Similarity 0.6475 NPC471576
Remote Similarity 0.6474 NPC177404
Remote Similarity 0.6467 NPC66083
Remote Similarity 0.6458 NPC166667
Remote Similarity 0.6457 NPC309982
Remote Similarity 0.6457 NPC97811
Remote Similarity 0.6456 NPC127362
Remote Similarity 0.6452 NPC178902
Remote Similarity 0.6449 NPC29477
Remote Similarity 0.6446 NPC313886
Remote Similarity 0.6444 NPC83279
Remote Similarity 0.6438 NPC298821
Remote Similarity 0.6438 NPC258773
Remote Similarity 0.642 NPC168153
Remote Similarity 0.6417 NPC114325
Remote Similarity 0.6417 NPC16649
Remote Similarity 0.6414 NPC471316
Remote Similarity 0.641 NPC47422
Remote Similarity 0.6403 NPC301713
Remote Similarity 0.64 NPC245974
Remote Similarity 0.64 NPC283546
Remote Similarity 0.6395 NPC123761
Remote Similarity 0.6393 NPC95755
Remote Similarity 0.6387 NPC26850
Remote Similarity 0.6386 NPC469829
Remote Similarity 0.6375 NPC477888
Remote Similarity 0.6357 NPC46844
Remote Similarity 0.6357 NPC251571
Remote Similarity 0.6357 NPC153990
Remote Similarity 0.6356 NPC78154
Remote Similarity 0.6356 NPC99886
Remote Similarity 0.6356 NPC8002
Remote Similarity 0.6356 NPC177844
Remote Similarity 0.6356 NPC259134
Remote Similarity 0.6349 NPC128730
Remote Similarity 0.6349 NPC473855
Remote Similarity 0.634 NPC184161
Remote Similarity 0.6335 NPC85482
Remote Similarity 0.632 NPC178681
Remote Similarity 0.632 NPC305205
Remote Similarity 0.6319 NPC288943
Remote Similarity 0.6312 NPC155838
Remote Similarity 0.6309 NPC470394
Remote Similarity 0.6309 NPC470403
Remote Similarity 0.6309 NPC470404
Remote Similarity 0.6308 NPC55300
Remote Similarity 0.6308 NPC21890
Remote Similarity 0.6306 NPC93653
Remote Similarity 0.6303 NPC71853
Remote Similarity 0.6299 NPC176971
Remote Similarity 0.6299 NPC231705
Remote Similarity 0.6294 NPC307123
Remote Similarity 0.6294 NPC247018
Remote Similarity 0.6294 NPC97870
Remote Similarity 0.629 NPC107101
Remote Similarity 0.6276 NPC122542
Remote Similarity 0.6272 NPC469830
Remote Similarity 0.6268 NPC195749
Remote Similarity 0.6268 NPC35961
Remote Similarity 0.6268 NPC52029
Remote Similarity 0.6267 NPC136951
Remote Similarity 0.6267 NPC97004
Remote Similarity 0.6267 NPC161155
Remote Similarity 0.6266 NPC72291
Remote Similarity 0.6265 NPC118776
Remote Similarity 0.6264 NPC314948
Remote Similarity 0.626 NPC115379
Remote Similarity 0.626 NPC165646
Remote Similarity 0.6259 NPC204156
Remote Similarity 0.625 NPC321956
Remote Similarity 0.625 NPC321133
Remote Similarity 0.625 NPC151530
Remote Similarity 0.625 NPC142297
Remote Similarity 0.625 NPC258171
Remote Similarity 0.625 NPC157473
Remote Similarity 0.6241 NPC259098
Remote Similarity 0.6241 NPC197680
Remote Similarity 0.624 NPC307425
Remote Similarity 0.6235 NPC14651

Drug Structure

External Identifiers

TTD   DNC001117
DrugBank   DB03783
ChEMBL   CHEMBL16073
IUPHAR/BPS   7402
PharmaGKB   PA450897
KEGG Drug   D00569
PubChem CID   4754
ChEBI   8050
CAS Number  62-44-2

Drug Properties

Molecular Weight  179.09
ALogP  0.1269
MLogP  2.23
XLogP  2.608
HDA  2
HBD  1
Rotatable Bonds  6
TPSA  41.82
RO5 Violation  0