Drug Information

Drug ID:  NPD8870
Drug Name:  Acetylcysteine
Molecular Formula:  C5H9NO3S
Canonical SMILES:  SC[C@@H](C(=O)O)N=C(O)C
Standard InCHI:  InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
Standard InCHIKey:  PWKSKIMOESPYIA-BYPYZUCNSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8870

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 NPC248970
High Similarity 1.0 NPC306238
Intermediate Similarity 0.8333 NPC319175
Intermediate Similarity 0.75 NPC136476
Intermediate Similarity 0.75 NPC49952
Intermediate Similarity 0.75 NPC297220
Intermediate Similarity 0.7391 NPC110533
Intermediate Similarity 0.7391 NPC317691
Intermediate Similarity 0.7391 NPC254482
Intermediate Similarity 0.7391 NPC326808
Intermediate Similarity 0.7347 NPC204364
Intermediate Similarity 0.7333 NPC327250
Intermediate Similarity 0.7321 NPC321419
Intermediate Similarity 0.72 NPC227850
Intermediate Similarity 0.7143 NPC260324
Intermediate Similarity 0.7143 NPC213876
Intermediate Similarity 0.7143 NPC185755
Intermediate Similarity 0.7059 NPC193989
Intermediate Similarity 0.7059 NPC170739
Intermediate Similarity 0.7059 NPC152451
Intermediate Similarity 0.7059 NPC328378
Remote Similarity 0.6949 NPC289691
Remote Similarity 0.6939 NPC191136
Remote Similarity 0.6833 NPC325597
Remote Similarity 0.6833 NPC174304
Remote Similarity 0.6792 NPC322946
Remote Similarity 0.6667 NPC317815
Remote Similarity 0.6667 NPC263065
Remote Similarity 0.6667 NPC189178
Remote Similarity 0.6604 NPC114990
Remote Similarity 0.6604 NPC125736
Remote Similarity 0.6545 NPC321118
Remote Similarity 0.6545 NPC316889
Remote Similarity 0.6522 NPC69179
Remote Similarity 0.6471 NPC228932
Remote Similarity 0.6471 NPC198196
Remote Similarity 0.6458 NPC121517
Remote Similarity 0.6458 NPC168375
Remote Similarity 0.6458 NPC53449
Remote Similarity 0.6458 NPC326992
Remote Similarity 0.6429 NPC102815
Remote Similarity 0.6429 NPC322573
Remote Similarity 0.64 NPC198301
Remote Similarity 0.6364 NPC315897
Remote Similarity 0.6364 NPC329495
Remote Similarity 0.6346 NPC118187
Remote Similarity 0.6316 NPC38463
Remote Similarity 0.6304 NPC21290
Remote Similarity 0.6304 NPC116709
Remote Similarity 0.6304 NPC272614
Remote Similarity 0.6296 NPC327239
Remote Similarity 0.625 NPC145235
Remote Similarity 0.625 NPC319046
Remote Similarity 0.6226 NPC318523
Remote Similarity 0.6226 NPC153370
Remote Similarity 0.6207 NPC283786
Remote Similarity 0.6207 NPC318260
Remote Similarity 0.6207 NPC317147
Remote Similarity 0.62 NPC167986
Remote Similarity 0.62 NPC291186
Remote Similarity 0.6182 NPC19576
Remote Similarity 0.6182 NPC29950
Remote Similarity 0.617 NPC25237
Remote Similarity 0.6154 NPC126779
Remote Similarity 0.614 NPC327831
Remote Similarity 0.6102 NPC189301
Remote Similarity 0.6102 NPC176164
Remote Similarity 0.6078 NPC325097
Remote Similarity 0.6078 NPC132307
Remote Similarity 0.6078 NPC126925
Remote Similarity 0.6034 NPC325985
Remote Similarity 0.6034 NPC313263
Remote Similarity 0.6 NPC321468
Remote Similarity 0.6 NPC316826
Remote Similarity 0.6 NPC14778
Remote Similarity 0.6 NPC254541
Remote Similarity 0.6 NPC473599
Remote Similarity 0.6 NPC319110
Remote Similarity 0.6 NPC329181
Remote Similarity 0.6 NPC317143
Remote Similarity 0.6 NPC327748
Remote Similarity 0.5962 NPC118459
Remote Similarity 0.5962 NPC327698
Remote Similarity 0.5957 NPC9294
Remote Similarity 0.5952 NPC320704
Remote Similarity 0.5932 NPC82239
Remote Similarity 0.5909 NPC16947
Remote Similarity 0.5902 NPC327170
Remote Similarity 0.5902 NPC329564
Remote Similarity 0.5833 NPC63621
Remote Similarity 0.5806 NPC477644
Remote Similarity 0.58 NPC66043
Remote Similarity 0.58 NPC237525
Remote Similarity 0.58 NPC326212
Remote Similarity 0.5789 NPC190184
Remote Similarity 0.5789 NPC197087
Remote Similarity 0.5769 NPC43264
Remote Similarity 0.5741 NPC282097
Remote Similarity 0.5738 NPC321536
Remote Similarity 0.5738 NPC320598
Remote Similarity 0.5714 NPC327252
Remote Similarity 0.566 NPC329263
Remote Similarity 0.5645 NPC143722
Remote Similarity 0.5625 NPC145658

Drug Structure

External Identifiers

TTD   DNC000981; DIB009066
DrugBank   DB06151
ChEMBL   CHEMBL600
IUPHAR/BPS  
PharmaGKB   PA448033
KEGG Drug   D00221
PubChem CID  
ChEBI   28939
CAS Number  616-91-1

Drug Properties

Molecular Weight  163.03
ALogP  0.054
MLogP  1.46
XLogP  0.047
HDA  4
HBD  2
Rotatable Bonds  7
TPSA  108.69
RO5 Violation  0