Drug ID:   | NPD4608 |
Drug Name:   | Mesoridazine Besylate |
Molecular Formula:   | C21H26N2OS2.C6H6O3S |
Canonical SMILES:   | OS(=O)(=O)c1ccccc1.CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C |
Standard InCHI:   | InChI=1S/C21H26N2OS2.C6H6O3S/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23;7-10(8,9)6-4-2-1-3-5-6/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1-5H,(H,7,8,9) |
Standard InCHIKey:   | CRJHBCPQHRVYBS-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 |
---|---|---|
Intermediate Similarity | 0.7895 | NPC473417 |
Intermediate Similarity | 0.7603 | NPC328877 |
Intermediate Similarity | 0.7154 | NPC291610 |
Remote Similarity | 0.697 | NPC218710 |
Remote Similarity | 0.6733 | NPC320863 |
Remote Similarity | 0.6312 | NPC475915 |
Remote Similarity | 0.6198 | NPC229477 |
Remote Similarity | 0.6139 | NPC321617 |
Remote Similarity | 0.6096 | NPC252794 |
Remote Similarity | 0.6028 | NPC313449 |
Remote Similarity | 0.6014 | NPC328590 |
Remote Similarity | 0.5902 | NPC134825 |
Remote Similarity | 0.5873 | NPC315403 |
Remote Similarity | 0.5857 | NPC187036 |
Remote Similarity | 0.5857 | NPC296163 |
Remote Similarity | 0.5839 | NPC302790 |
Remote Similarity | 0.5821 | NPC474430 |
Remote Similarity | 0.5804 | NPC192209 |
Remote Similarity | 0.5804 | NPC31651 |
Remote Similarity | 0.58 | NPC321053 |
Remote Similarity | 0.5794 | NPC297532 |
Remote Similarity | 0.5781 | NPC470926 |
Remote Similarity | 0.5775 | NPC288232 |
Remote Similarity | 0.5772 | NPC273714 |
Remote Similarity | 0.5733 | NPC476140 |
Remote Similarity | 0.5714 | NPC43655 |
Remote Similarity | 0.5689 | NPC469897 |
Remote Similarity | 0.5672 | NPC326792 |
Remote Similarity | 0.5655 | NPC474791 |
Remote Similarity | 0.5655 | NPC264580 |
Remote Similarity | 0.5652 | NPC20322 |
Remote Similarity | 0.5652 | NPC79618 |
Remote Similarity | 0.5652 | NPC434 |
Remote Similarity | 0.5629 | NPC476950 |
Remote Similarity | 0.5629 | NPC135488 |
Remote Similarity | 0.5629 | NPC469949 |
Remote Similarity | 0.5625 | NPC107135 |
Remote Similarity | 0.562 | NPC313362 |
Remote Similarity | 0.5617 | NPC469735 |
Remote Similarity | 0.5616 | NPC226143 |
Molecular Weight   | 386.15 |
ALogP   | -0.8788 |
MLogP   | 3.22 |
XLogP   | 3.6 |
HDA   | 3 |
HBD   | 0 |
Rotatable Bonds   | 6 |
TPSA   | 68.06 |
RO5 Violation   | 0 |