Drug ID:   | NPD8577 |
Drug Name:   | Procysteine |
Molecular Formula:   | C4H5NO3S |
Canonical SMILES:   | OC(=O)[C@@H]1CSC(=N1)O |
Standard InCHI:   | InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1 |
Standard InCHIKey:   | BMLMGCPTLHPWPY-REOHCLBHSA-N |
Max Developmental Stage:   | Discontinued |
Max Developmental Stage Source:   | TTD |
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 |
---|---|---|
Intermediate Similarity | 0.7551 | NPC306238 |
Intermediate Similarity | 0.7551 | NPC248970 |
Intermediate Similarity | 0.74 | NPC204364 |
Intermediate Similarity | 0.7115 | NPC152451 |
Intermediate Similarity | 0.7115 | NPC170739 |
Intermediate Similarity | 0.7115 | NPC193989 |
Remote Similarity | 0.6981 | NPC114990 |
Remote Similarity | 0.678 | NPC321419 |
Remote Similarity | 0.6735 | NPC326808 |
Remote Similarity | 0.6735 | NPC254482 |
Remote Similarity | 0.6735 | NPC317691 |
Remote Similarity | 0.6735 | NPC110533 |
Remote Similarity | 0.6727 | NPC317815 |
Remote Similarity | 0.6667 | NPC319175 |
Remote Similarity | 0.6607 | NPC145235 |
Remote Similarity | 0.6552 | NPC283786 |
Remote Similarity | 0.6538 | NPC136476 |
Remote Similarity | 0.6538 | NPC213876 |
Remote Similarity | 0.6538 | NPC185755 |
Remote Similarity | 0.6538 | NPC49952 |
Remote Similarity | 0.6538 | NPC198196 |
Remote Similarity | 0.6491 | NPC102815 |
Remote Similarity | 0.6271 | NPC82239 |
Remote Similarity | 0.625 | NPC29950 |
Remote Similarity | 0.625 | NPC19576 |
Remote Similarity | 0.6226 | NPC228932 |
Remote Similarity | 0.6111 | NPC118187 |
Remote Similarity | 0.6087 | NPC14778 |
Remote Similarity | 0.6071 | NPC327239 |
Remote Similarity | 0.6071 | NPC125736 |
Remote Similarity | 0.6 | NPC318523 |
Remote Similarity | 0.5926 | NPC297220 |
Remote Similarity | 0.5745 | NPC260324 |
Remote Similarity | 0.5741 | NPC191136 |
Remote Similarity | 0.5714 | NPC227850 |
Remote Similarity | 0.5714 | NPC21290 |
Remote Similarity | 0.5714 | NPC116709 |
Remote Similarity | 0.5714 | NPC272614 |
Remote Similarity | 0.5692 | NPC289691 |
Remote Similarity | 0.5686 | NPC327250 |
Remote Similarity | 0.5614 | NPC328378 |
Remote Similarity | 0.5606 | NPC325597 |
Remote Similarity | 0.5606 | NPC174304 |
Remote Similarity | 0.56 | NPC63621 |
TTD   | DIB015638 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 147.00 |
ALogP   | 0.6421 |
MLogP   | 1.35 |
XLogP   | -0.384 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 3 |
TPSA   | 95.19 |
RO5 Violation   | 0 |