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DocumentationIdentifier: MM380208
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380208 |
| SMILES |
C#CC(C#CC)N(C)C=O
|
| InChIKey |
FOBCHTZDPTVABB-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174601
Similarity: 0.8485
Similarity to MM174601
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358008
Similarity: 0.7544
Similarity to MM358008
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.86 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357868
Similarity: 0.75
Similarity to MM357868
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8572 |
| Dice metric | 0.8571 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
