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DocumentationIdentifier: MM294426
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294426 |
| SMILES |
CC=CC#CC(N)C(C)O
|
| InChIKey |
BXMFOFYPDTXBJR-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24016
Similarity: 0.7092
Similarity to MM24016
| Tanimoto metric | 0.7092 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8299 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357631
Similarity: 0.705
Similarity to MM357631
| Tanimoto metric | 0.705 |
|---|---|
| Cosine metric | 0.8279 |
| Dice metric | 0.827 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26799
Similarity: 0.695
Similarity to MM26799
| Tanimoto metric | 0.695 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.8201 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+397 more
