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DocumentationIdentifier: MM303487
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303487 |
| SMILES |
N#CCC(CCO)NC=O
|
| InChIKey |
SARSWMVVHVFPFQ-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75009
Similarity: 0.6827
Similarity to MM75009
| Tanimoto metric | 0.6827 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8114 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107217
Similarity: 0.58
Similarity to MM107217
| Tanimoto metric | 0.58 |
|---|---|
| Cosine metric | 0.7616 |
| Dice metric | 0.7342 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33868
Similarity: 0.58
Similarity to MM33868
| Tanimoto metric | 0.58 |
|---|---|
| Cosine metric | 0.7616 |
| Dice metric | 0.7342 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
