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 |
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.
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 |
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 |