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DocumentationIdentifier: MM409154
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409154 |
| SMILES |
C#CC(CC#CCC)NC
|
| InChIKey |
WXGMOARMGDGMOG-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199721
Similarity: 0.9036
Similarity to MM199721
| Tanimoto metric | 0.9036 |
|---|---|
| Cosine metric | 0.9506 |
| Dice metric | 0.9494 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63071
Similarity: 0.828
Similarity to MM63071
| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9059 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379880
Similarity: 0.8041
Similarity to MM379880
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8926 |
| Dice metric | 0.8914 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
