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DocumentationIdentifier: MM367262
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367262 |
| SMILES |
CC#CCNCC(C)OC
|
| InChIKey |
XVFYTKBIMGZSHJ-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57109
Similarity: 0.8588
Similarity to MM57109
| Tanimoto metric | 0.8588 |
|---|---|
| Cosine metric | 0.9267 |
| Dice metric | 0.9241 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291628
Similarity: 0.7019
Similarity to MM291628
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.8249 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56399
Similarity: 0.6518
Similarity to MM56399
| Tanimoto metric | 0.6518 |
|---|---|
| Cosine metric | 0.7918 |
| Dice metric | 0.7892 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+480 more
