Drug ID:   | NPD2274 |
Drug Name:   | Decamethonium Bromide |
Molecular Formula:   | C16H38N2.2BrH |
Canonical SMILES:   | C[N+](CCCCCCCCCC[N+](C)(C)C)(C)C.[Br-].[Br-] |
Standard InCHI:   | InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2 |
Standard InCHIKey:   | HLXQFVXURMXRPU-UHFFFAOYSA-L |
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 | 0.7778 | NPC326791 |
Intermediate Similarity | 0.7647 | NPC323644 |
Intermediate Similarity | 0.7297 | NPC473035 |
Intermediate Similarity | 0.7105 | NPC471440 |
Intermediate Similarity | 0.7105 | NPC471575 |
Remote Similarity | 0.6842 | NPC166030 |
Remote Similarity | 0.6757 | NPC74599 |
Remote Similarity | 0.675 | NPC15231 |
Remote Similarity | 0.6667 | NPC313882 |
Remote Similarity | 0.625 | NPC167301 |
Remote Similarity | 0.6111 | NPC320889 |
Remote Similarity | 0.6061 | NPC256060 |
Remote Similarity | 0.6 | NPC258096 |
Remote Similarity | 0.5957 | NPC201713 |
Remote Similarity | 0.5952 | NPC141914 |
Remote Similarity | 0.5862 | NPC26229 |
Remote Similarity | 0.5862 | NPC154477 |
Remote Similarity | 0.5862 | NPC77249 |
Remote Similarity | 0.5862 | NPC26974 |
Remote Similarity | 0.5862 | NPC239406 |
Remote Similarity | 0.5758 | NPC287807 |
Remote Similarity | 0.5745 | NPC153803 |
Remote Similarity | 0.5714 | NPC270175 |
Remote Similarity | 0.5714 | NPC152949 |
Molecular Weight   | 258.30 |
ALogP   | -4.5548 |
MLogP   | 3 |
XLogP   | 3.242 |
HDA   | 0 |
HBD   | 0 |
Rotatable Bonds   | 17 |
TPSA   | 0 |
RO5 Violation   | 1 |