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DocumentationIdentifier: MM330147
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330147 |
| SMILES |
C#CC(=O)NC(C#C)CO
|
| InChIKey |
KCFZBUCRLZGCPR-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150101
Similarity: 0.8197
Similarity to MM150101
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330017
Similarity: 0.7681
Similarity to MM330017
| Tanimoto metric | 0.7681 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8689 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329093
Similarity: 0.7023
Similarity to MM329093
| Tanimoto metric | 0.7023 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8251 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
