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DocumentationIdentifier: MM163651
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163651 |
| SMILES |
C=C(C#CCC)C(C)N
|
| InChIKey |
LUWCUFORKAHWSK-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM294164
Similarity: 0.9247
Similarity to MM294164
| Tanimoto metric | 0.9247 |
|---|---|
| Cosine metric | 0.9616 |
| Dice metric | 0.9609 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294166
Similarity: 0.9247
Similarity to MM294166
| Tanimoto metric | 0.9247 |
|---|---|
| Cosine metric | 0.9616 |
| Dice metric | 0.9609 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294235
Similarity: 0.8776
Similarity to MM294235
| Tanimoto metric | 0.8776 |
|---|---|
| Cosine metric | 0.9368 |
| Dice metric | 0.9348 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+894 more
