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DocumentationIdentifier: MM154673
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM154673 |
| SMILES |
CC#CCC#CC(C)N
|
| InChIKey |
VXAZPAFBFLOYNW-UHFFFAOYSA-N
|
| MW [Da] |
121.18
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM289962
Similarity: 1
Similarity to MM289962
| Tanimoto metric | 1 |
|---|---|
| Cosine metric | 1 |
| Dice metric | 1 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62144
Similarity: 0.88
Similarity to MM62144
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9381 |
| Dice metric | 0.9362 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM289981
Similarity: 0.8772
Similarity to MM289981
| Tanimoto metric | 0.8772 |
|---|---|
| Cosine metric | 0.9366 |
| Dice metric | 0.9346 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+776 more
