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DocumentationIdentifier: MM38687
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM38687 |
| SMILES |
CC(C)C#CC(N)C(C)O
|
| InChIKey |
MTAQJVYMAFGAQL-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM293814
Similarity: 0.8
Similarity to MM293814
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8889 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36347
Similarity: 0.7586
Similarity to MM36347
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8627 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231668
Similarity: 0.7344
Similarity to MM231668
| Tanimoto metric | 0.7344 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8468 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+481 more
