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DocumentationIdentifier: MM387714
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387714 |
| SMILES |
C#CC(CC#N)CCOC
|
| InChIKey |
MABMPSOFKKYLRT-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178079
Similarity: 0.7865
Similarity to MM178079
| Tanimoto metric | 0.7865 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8805 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199063
Similarity: 0.7191
Similarity to MM199063
| Tanimoto metric | 0.7191 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8366 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155863
Similarity: 0.6854
Similarity to MM155863
| Tanimoto metric | 0.6854 |
|---|---|
| Cosine metric | 0.8279 |
| Dice metric | 0.8133 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+546 more
