Drug ID:   | NPD9577 |
Drug Name:   | Pidotimod |
Molecular Formula:   | C9H12N2O4S |
Canonical SMILES:   | OC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=N1)O |
Standard InCHI:   | InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1 |
Standard InCHIKey:   | UUTKICFRNVKFRG-WDSKDSINSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | TTD; DrugBank |
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 | 0.7711 | NPC59867 |
Intermediate Similarity | 0.7553 | NPC117829 |
Intermediate Similarity | 0.7356 | NPC475542 |
Remote Similarity | 0.6914 | NPC287693 |
Remote Similarity | 0.6914 | NPC84182 |
Remote Similarity | 0.6914 | NPC128005 |
Remote Similarity | 0.6867 | NPC322274 |
Remote Similarity | 0.675 | NPC243964 |
Remote Similarity | 0.6744 | NPC161774 |
Remote Similarity | 0.6744 | NPC320221 |
Remote Similarity | 0.6744 | NPC256312 |
Remote Similarity | 0.6744 | NPC209156 |
Remote Similarity | 0.6744 | NPC266888 |
Remote Similarity | 0.6706 | NPC196007 |
Remote Similarity | 0.6706 | NPC76297 |
Remote Similarity | 0.6706 | NPC214532 |
Remote Similarity | 0.66 | NPC144780 |
Remote Similarity | 0.6556 | NPC312315 |
Remote Similarity | 0.6512 | NPC470781 |
Remote Similarity | 0.6477 | NPC327272 |
Remote Similarity | 0.6429 | NPC474576 |
Remote Similarity | 0.6404 | NPC470782 |
Remote Similarity | 0.6364 | NPC173763 |
Remote Similarity | 0.6364 | NPC471098 |
Remote Similarity | 0.6364 | NPC62263 |
Remote Similarity | 0.6364 | NPC126186 |
Remote Similarity | 0.6344 | NPC53858 |
Remote Similarity | 0.6344 | NPC84128 |
Remote Similarity | 0.6327 | NPC474593 |
Remote Similarity | 0.6327 | NPC475801 |
Remote Similarity | 0.6311 | NPC475440 |
Remote Similarity | 0.6289 | NPC473495 |
Remote Similarity | 0.6265 | NPC289691 |
Remote Similarity | 0.6237 | NPC470783 |
Remote Similarity | 0.6196 | NPC31756 |
Remote Similarity | 0.619 | NPC174304 |
Remote Similarity | 0.619 | NPC325597 |
Remote Similarity | 0.6129 | NPC476117 |
Remote Similarity | 0.6129 | NPC476137 |
Remote Similarity | 0.6129 | NPC476243 |
Remote Similarity | 0.6129 | NPC476156 |
Remote Similarity | 0.6117 | NPC473597 |
Remote Similarity | 0.61 | NPC477538 |
Remote Similarity | 0.6064 | NPC476302 |
Remote Similarity | 0.6 | NPC296143 |
Remote Similarity | 0.5977 | NPC319046 |
Remote Similarity | 0.5918 | NPC477539 |
Remote Similarity | 0.5913 | NPC288109 |
Remote Similarity | 0.5909 | NPC126779 |
Remote Similarity | 0.5897 | NPC19576 |
Remote Similarity | 0.5897 | NPC29950 |
Remote Similarity | 0.5889 | NPC29326 |
Remote Similarity | 0.5882 | NPC57420 |
Remote Similarity | 0.5876 | NPC199072 |
Remote Similarity | 0.5872 | NPC323720 |
Remote Similarity | 0.5833 | NPC475149 |
Remote Similarity | 0.5833 | NPC471097 |
Remote Similarity | 0.5823 | NPC8488 |
Remote Similarity | 0.5823 | NPC333075 |
Remote Similarity | 0.5823 | NPC274499 |
Remote Similarity | 0.5818 | NPC475637 |
Remote Similarity | 0.5794 | NPC475791 |
Remote Similarity | 0.5794 | NPC13175 |
Remote Similarity | 0.5769 | NPC327239 |
Remote Similarity | 0.5743 | NPC193386 |
Remote Similarity | 0.5743 | NPC275715 |
Remote Similarity | 0.5714 | NPC315897 |
Remote Similarity | 0.5714 | NPC321419 |
Remote Similarity | 0.5701 | NPC220234 |
Remote Similarity | 0.5701 | NPC475758 |
Remote Similarity | 0.5679 | NPC322573 |
Remote Similarity | 0.5663 | NPC11433 |
Remote Similarity | 0.5663 | NPC245346 |
Remote Similarity | 0.5663 | NPC302003 |
Remote Similarity | 0.5652 | NPC477862 |
Remote Similarity | 0.5641 | NPC473819 |
Remote Similarity | 0.5632 | NPC160661 |
Remote Similarity | 0.561 | NPC325985 |
TTD   | DIB003036 |
DrugBank   | DB11364 |
ChEMBL   | CHEMBL1488165 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | D07261 |
PubChem CID   | |
ChEBI   | 94618 |
CAS Number   | 121808-62-6 |
Molecular Weight   | 244.05 |
ALogP   | -0.9159 |
MLogP   | 1.68 |
XLogP   | -0.827 |
HDA   | 6 |
HBD   | 2 |
Rotatable Bonds   | 5 |
TPSA   | 115.5 |
RO5 Violation   | 0 |