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DocumentationIdentifier: MM262316
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262316 |
| SMILES |
C#CC(=C)CC(O)CCN
|
| InChIKey |
NGNCMFPNPYVZLP-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM395359
Similarity: 0.7807
Similarity to MM395359
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8768 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM416863
Similarity: 0.7258
Similarity to MM416863
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8411 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405367
Similarity: 0.72
Similarity to MM405367
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8387 |
| Dice metric | 0.8372 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
