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DocumentationIdentifier: MM376328
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376328 |
| SMILES |
CC=CC#CCN(C)C=O
|
| InChIKey |
WZXAMMSJQLPBTE-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23701
Similarity: 0.8701
Similarity to MM23701
| Tanimoto metric | 0.8701 |
|---|---|
| Cosine metric | 0.9328 |
| Dice metric | 0.9306 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216053
Similarity: 0.7662
Similarity to MM216053
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376330
Similarity: 0.7363
Similarity to MM376330
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8484 |
| Dice metric | 0.8481 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+199 more
