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DocumentationIdentifier: MM388511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388511 |
| SMILES |
C#CCN(C=O)CC#CC
|
| InChIKey |
FDVFCGYUZJWPES-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
MM51329
Similarity: 0.7568
Similarity to MM51329
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8699 |
| Dice metric | 0.8615 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23810
Similarity: 0.7556
Similarity to MM23810
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8608 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408763
Similarity: 0.7556
Similarity to MM408763
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8625 |
| Dice metric | 0.8608 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
