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DocumentationIdentifier: MM281341
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281341 |
| SMILES |
CC#CC(O)CC#CC#N
|
| InChIKey |
DDBZDFNBGCKCGL-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169198
Similarity: 0.8974
Similarity to MM169198
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158458
Similarity: 0.8095
Similarity to MM158458
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.895 |
| Dice metric | 0.8947 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282743
Similarity: 0.7865
Similarity to MM282743
| Tanimoto metric | 0.7865 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.8805 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+263 more
