Drug Information

Drug ID:  NPD1393
Drug Name:  Propacetamol
Molecular Formula:  C14H20N2O3
Canonical SMILES:  CCN(CC(=O)Oc1ccc(cc1)N=C(O)C)CC
Standard InCHI:  InChI=1S/C14H20N2O3/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,17)
Standard InCHIKey:  QTGAJCQTLIRCFL-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD1393

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
Intermediate Similarity 0.8254 NPC264782
Intermediate Similarity 0.7857 NPC297584
Intermediate Similarity 0.7591 NPC315632
Intermediate Similarity 0.7535 NPC208022
Intermediate Similarity 0.75 NPC76327
Intermediate Similarity 0.7397 NPC476475
Intermediate Similarity 0.7394 NPC473987
Intermediate Similarity 0.7383 NPC260601
Intermediate Similarity 0.7285 NPC473769
Intermediate Similarity 0.7248 NPC476462
Intermediate Similarity 0.7143 NPC314861
Intermediate Similarity 0.7134 NPC315257
Intermediate Similarity 0.7121 NPC255721
Intermediate Similarity 0.7107 NPC19023
Intermediate Similarity 0.7025 NPC112766
Intermediate Similarity 0.7008 NPC313918
Intermediate Similarity 0.7007 NPC91615
Remote Similarity 0.6982 NPC469831
Remote Similarity 0.694 NPC9336
Remote Similarity 0.6939 NPC470392
Remote Similarity 0.6894 NPC231862
Remote Similarity 0.6875 NPC70549
Remote Similarity 0.6863 NPC168750
Remote Similarity 0.6824 NPC274732
Remote Similarity 0.6815 NPC226914
Remote Similarity 0.6774 NPC473874
Remote Similarity 0.6768 NPC70172
Remote Similarity 0.6748 NPC315498
Remote Similarity 0.6748 NPC230942
Remote Similarity 0.6748 NPC57105
Remote Similarity 0.6746 NPC315631
Remote Similarity 0.6744 NPC469829
Remote Similarity 0.6732 NPC83289
Remote Similarity 0.6732 NPC212850
Remote Similarity 0.6732 NPC189724
Remote Similarity 0.6691 NPC95977
Remote Similarity 0.669 NPC160120
Remote Similarity 0.669 NPC17388
Remote Similarity 0.669 NPC53596
Remote Similarity 0.669 NPC289330
Remote Similarity 0.669 NPC471308
Remote Similarity 0.6689 NPC122542
Remote Similarity 0.6644 NPC313466
Remote Similarity 0.6641 NPC70201
Remote Similarity 0.6629 NPC469830
Remote Similarity 0.6623 NPC314113
Remote Similarity 0.6611 NPC314948
Remote Similarity 0.6601 NPC469828
Remote Similarity 0.6585 NPC306366
Remote Similarity 0.6573 NPC263835
Remote Similarity 0.6565 NPC307039
Remote Similarity 0.6561 NPC247298
Remote Similarity 0.6556 NPC105541
Remote Similarity 0.6552 NPC471314
Remote Similarity 0.6552 NPC471315
Remote Similarity 0.6534 NPC232872
Remote Similarity 0.6532 NPC288305
Remote Similarity 0.6527 NPC127362
Remote Similarity 0.6519 NPC478049
Remote Similarity 0.6519 NPC9373
Remote Similarity 0.6513 NPC29650
Remote Similarity 0.6509 NPC85482
Remote Similarity 0.6503 NPC256369
Remote Similarity 0.6491 NPC290069
Remote Similarity 0.649 NPC471953
Remote Similarity 0.6486 NPC473460
Remote Similarity 0.6478 NPC245974
Remote Similarity 0.6471 NPC138365
Remote Similarity 0.6471 NPC44836
Remote Similarity 0.6467 NPC204179
Remote Similarity 0.6467 NPC195902
Remote Similarity 0.6453 NPC220560
Remote Similarity 0.6437 NPC270301
Remote Similarity 0.6419 NPC124776
Remote Similarity 0.6408 NPC258992
Remote Similarity 0.6407 NPC472923
Remote Similarity 0.6397 NPC41594
Remote Similarity 0.6392 NPC323798
Remote Similarity 0.6387 NPC319645
Remote Similarity 0.6374 NPC108847
Remote Similarity 0.6369 NPC254700
Remote Similarity 0.6364 NPC323948
Remote Similarity 0.6354 NPC203972
Remote Similarity 0.6346 NPC47986
Remote Similarity 0.6338 NPC303370
Remote Similarity 0.6333 NPC280736
Remote Similarity 0.6328 NPC313886
Remote Similarity 0.6316 NPC132725
Remote Similarity 0.6316 NPC471561
Remote Similarity 0.6312 NPC322735
Remote Similarity 0.6304 NPC146530
Remote Similarity 0.6303 NPC56635
Remote Similarity 0.6301 NPC8467
Remote Similarity 0.6296 NPC311660
Remote Similarity 0.6291 NPC471321
Remote Similarity 0.6291 NPC471306
Remote Similarity 0.629 NPC214368
Remote Similarity 0.6286 NPC166837
Remote Similarity 0.6284 NPC211218
Remote Similarity 0.6277 NPC473422
Remote Similarity 0.6275 NPC97870
Remote Similarity 0.6275 NPC247018
Remote Similarity 0.6275 NPC307123
Remote Similarity 0.6269 NPC107101
Remote Similarity 0.6268 NPC329190
Remote Similarity 0.6266 NPC204546
Remote Similarity 0.6257 NPC471568
Remote Similarity 0.6257 NPC311357
Remote Similarity 0.6257 NPC473693
Remote Similarity 0.625 NPC136951
Remote Similarity 0.625 NPC133470
Remote Similarity 0.625 NPC161155
Remote Similarity 0.625 NPC97004
Remote Similarity 0.625 NPC191863
Remote Similarity 0.625 NPC289776
Remote Similarity 0.6243 NPC28510
Remote Similarity 0.6236 NPC315542
Remote Similarity 0.6235 NPC473502
Remote Similarity 0.6235 NPC324081
Remote Similarity 0.6233 NPC41801
Remote Similarity 0.6226 NPC266741
Remote Similarity 0.6224 NPC222982
Remote Similarity 0.6222 NPC307425
Remote Similarity 0.622 NPC219383
Remote Similarity 0.6214 NPC329358
Remote Similarity 0.6211 NPC97282
Remote Similarity 0.6209 NPC70485
Remote Similarity 0.6209 NPC255550
Remote Similarity 0.6209 NPC308885
Remote Similarity 0.6204 NPC17537
Remote Similarity 0.6204 NPC473393
Remote Similarity 0.6199 NPC186617
Remote Similarity 0.6194 NPC284855
Remote Similarity 0.6194 NPC282477
Remote Similarity 0.619 NPC93653
Remote Similarity 0.6188 NPC81026
Remote Similarity 0.6188 NPC174629
Remote Similarity 0.6178 NPC471316
Remote Similarity 0.6173 NPC132771
Remote Similarity 0.6169 NPC130595
Remote Similarity 0.6169 NPC93882
Remote Similarity 0.6164 NPC43275
Remote Similarity 0.6164 NPC319950
Remote Similarity 0.6164 NPC321869
Remote Similarity 0.6163 NPC196091
Remote Similarity 0.6159 NPC218323
Remote Similarity 0.6154 NPC177404
Remote Similarity 0.6139 NPC204156
Remote Similarity 0.6136 NPC475421
Remote Similarity 0.6133 NPC62101
Remote Similarity 0.6133 NPC95733
Remote Similarity 0.6131 NPC256838
Remote Similarity 0.6131 NPC301163
Remote Similarity 0.6131 NPC283546
Remote Similarity 0.6129 NPC285078
Remote Similarity 0.6129 NPC6854
Remote Similarity 0.6129 NPC313737
Remote Similarity 0.6127 NPC83241
Remote Similarity 0.6127 NPC471648
Remote Similarity 0.612 NPC204970
Remote Similarity 0.6118 NPC296712
Remote Similarity 0.6114 NPC286195
Remote Similarity 0.6108 NPC10730
Remote Similarity 0.6108 NPC10875
Remote Similarity 0.6095 NPC285635
Remote Similarity 0.6093 NPC250476
Remote Similarity 0.6093 NPC141739
Remote Similarity 0.6093 NPC320242
Remote Similarity 0.6093 NPC136112
Remote Similarity 0.609 NPC218530
Remote Similarity 0.6087 NPC473855
Remote Similarity 0.6085 NPC474077
Remote Similarity 0.6084 NPC26524
Remote Similarity 0.6082 NPC471532
Remote Similarity 0.6078 NPC283079
Remote Similarity 0.6077 NPC21425
Remote Similarity 0.6074 NPC315829
Remote Similarity 0.6071 NPC287757
Remote Similarity 0.6071 NPC319320
Remote Similarity 0.6067 NPC118776
Remote Similarity 0.6067 NPC161887
Remote Similarity 0.6067 NPC219963
Remote Similarity 0.6067 NPC266551
Remote Similarity 0.6066 NPC475411
Remote Similarity 0.6061 NPC476483
Remote Similarity 0.6057 NPC95412
Remote Similarity 0.6051 NPC6570
Remote Similarity 0.6045 NPC316161
Remote Similarity 0.6044 NPC217294
Remote Similarity 0.6044 NPC110741
Remote Similarity 0.6043 NPC176971
Remote Similarity 0.604 NPC27581
Remote Similarity 0.604 NPC142577
Remote Similarity 0.604 NPC474862
Remote Similarity 0.6039 NPC200555
Remote Similarity 0.6039 NPC231382
Remote Similarity 0.6039 NPC196026
Remote Similarity 0.6038 NPC197921
Remote Similarity 0.6038 NPC36434
Remote Similarity 0.6034 NPC121658

Drug Structure

External Identifiers

TTD  
DrugBank   DB09288
ChEMBL   CHEMBL1851805
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D07294
PubChem CID  
ChEBI   135089
CAS Number  66532-85-2

Drug Properties

Molecular Weight  264.15
ALogP  0.354
MLogP  2.45
XLogP  2.777
HDA  4
HBD  1
Rotatable Bonds  11
TPSA  62.13
RO5 Violation  0