Drug ID:   | NPD5073 |
Drug Name:   | Moricizine Hydrochloride |
Molecular Formula:   | C22H25N3O4S.ClH |
Canonical SMILES:   | CCOC(=Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1c(S2)cccc1)O.Cl |
Standard InCHI:   | InChI=1S/C22H25N3O4S.ClH/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24;/h3-8,15H,2,9-14H2,1H3,(H,23,27);1H |
Standard InCHIKey:   | GAQAKFHSULJNAK-UHFFFAOYSA-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 |
---|---|---|
Remote Similarity | 0.6842 | NPC473417 |
Remote Similarity | 0.6748 | NPC321617 |
Remote Similarity | 0.6619 | NPC328877 |
Remote Similarity | 0.6133 | NPC218710 |
Remote Similarity | 0.6121 | NPC470301 |
Remote Similarity | 0.6045 | NPC328270 |
Remote Similarity | 0.6041 | NPC214827 |
Remote Similarity | 0.6041 | NPC314930 |
Remote Similarity | 0.6024 | NPC186284 |
Remote Similarity | 0.6024 | NPC22082 |
Remote Similarity | 0.6014 | NPC291610 |
Remote Similarity | 0.5951 | NPC313352 |
Remote Similarity | 0.595 | NPC475024 |
Remote Similarity | 0.5917 | NPC320863 |
Remote Similarity | 0.5867 | NPC313421 |
Remote Similarity | 0.5859 | NPC182507 |
Remote Similarity | 0.5789 | NPC477556 |
Remote Similarity | 0.5774 | NPC130251 |
Remote Similarity | 0.5764 | NPC75496 |
Remote Similarity | 0.5746 | NPC472106 |
Remote Similarity | 0.5742 | NPC31651 |
Remote Similarity | 0.5732 | NPC316582 |
Remote Similarity | 0.5724 | NPC326792 |
Remote Similarity | 0.5714 | NPC154602 |
Remote Similarity | 0.5714 | NPC243756 |
Remote Similarity | 0.5705 | NPC20322 |
Remote Similarity | 0.5642 | NPC113946 |
Remote Similarity | 0.5635 | NPC472120 |
Remote Similarity | 0.5635 | NPC472101 |
Remote Similarity | 0.5621 | NPC469560 |
Molecular Weight   | 427.16 |
ALogP   | 0.7296 |
MLogP   | 3 |
XLogP   | 3.649 |
HDA   | 7 |
HBD   | 1 |
Rotatable Bonds   | 9 |
TPSA   | 99.9 |
RO5 Violation   | 0 |