Drug ID:   | NPD4610 |
Drug Name:   | Thioridazine Hydrochloride |
Molecular Formula:   | C21H26N2S2.ClH |
Canonical SMILES:   | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1.Cl |
Standard InCHI:   | InChI=1S/C21H26N2S2.ClH/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23;/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1H |
Standard InCHIKey:   | NZFNXWQNBYZDAQ-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 | 0.814 | NPC473417 |
Intermediate Similarity | 0.7863 | NPC328877 |
Intermediate Similarity | 0.7395 | NPC291610 |
Remote Similarity | 0.6918 | NPC320863 |
Remote Similarity | 0.6667 | NPC218710 |
Remote Similarity | 0.6496 | NPC475915 |
Remote Similarity | 0.641 | NPC229477 |
Remote Similarity | 0.6268 | NPC252794 |
Remote Similarity | 0.6204 | NPC313449 |
Remote Similarity | 0.6194 | NPC321617 |
Remote Similarity | 0.6102 | NPC134825 |
Remote Similarity | 0.6029 | NPC187036 |
Remote Similarity | 0.6029 | NPC296163 |
Remote Similarity | 0.6015 | NPC302790 |
Remote Similarity | 0.5971 | NPC192209 |
Remote Similarity | 0.5968 | NPC470926 |
Remote Similarity | 0.5942 | NPC288232 |
Remote Similarity | 0.5931 | NPC273714 |
Remote Similarity | 0.589 | NPC476140 |
Remote Similarity | 0.5878 | NPC474430 |
Remote Similarity | 0.5854 | NPC297532 |
Remote Similarity | 0.5821 | NPC434 |
Remote Similarity | 0.5821 | NPC79618 |
Remote Similarity | 0.5816 | NPC264580 |
Remote Similarity | 0.5782 | NPC469949 |
Remote Similarity | 0.5759 | NPC469735 |
Remote Similarity | 0.5743 | NPC328590 |
Remote Similarity | 0.5732 | NPC20144 |
Remote Similarity | 0.5725 | NPC326792 |
Remote Similarity | 0.5705 | NPC287895 |
Remote Similarity | 0.5704 | NPC20322 |
Remote Similarity | 0.5682 | NPC239854 |
Remote Similarity | 0.5676 | NPC135488 |
Remote Similarity | 0.5676 | NPC476950 |
Remote Similarity | 0.5672 | NPC313362 |
Remote Similarity | 0.5664 | NPC226143 |
Remote Similarity | 0.5644 | NPC161108 |
Remote Similarity | 0.5643 | NPC473901 |
Remote Similarity | 0.5634 | NPC31651 |
Remote Similarity | 0.5632 | NPC66699 |
Remote Similarity | 0.5617 | NPC148592 |
Remote Similarity | 0.5617 | NPC206592 |
Remote Similarity | 0.5613 | NPC251722 |
Remote Similarity | 0.5613 | NPC314102 |
Remote Similarity | 0.5608 | NPC69277 |
Remote Similarity | 0.5603 | NPC143156 |
Remote Similarity | 0.5603 | NPC66775 |
Remote Similarity | 0.56 | NPC9856 |
Molecular Weight   | 370.15 |
ALogP   | 0.233 |
MLogP   | 3.33 |
XLogP   | 5.629 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 6 |
TPSA   | 57.08 |
RO5 Violation   | 1 |