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DocumentationIdentifier: MM377245
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377245 |
| SMILES |
C#CCC(C#C)N(C)C=O
|
| InChIKey |
DHGQDDMBLDINET-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
MM23748
Similarity: 0.637
Similarity to MM23748
| Tanimoto metric | 0.637 |
|---|---|
| Cosine metric | 0.7786 |
| Dice metric | 0.7782 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377191
Similarity: 0.6327
Similarity to MM377191
| Tanimoto metric | 0.6327 |
|---|---|
| Cosine metric | 0.7754 |
| Dice metric | 0.775 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM354264
Similarity: 0.6316
Similarity to MM354264
| Tanimoto metric | 0.6316 |
|---|---|
| Cosine metric | 0.776 |
| Dice metric | 0.7742 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+162 more
