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DocumentationIdentifier: MM33480
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33480 |
| SMILES |
C#CCNC(C#C)C(C)=O
|
| InChIKey |
HPWJVBZZVPAFGA-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
-0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213861
Similarity: 0.726
Similarity to MM213861
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.8413 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34630
Similarity: 0.5659
Similarity to MM34630
| Tanimoto metric | 0.5659 |
|---|---|
| Cosine metric | 0.7374 |
| Dice metric | 0.7228 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39342
Similarity: 0.5528
Similarity to MM39342
| Tanimoto metric | 0.5528 |
|---|---|
| Cosine metric | 0.7124 |
| Dice metric | 0.712 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
