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DocumentationIdentifier: MM46846
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46846 |
| SMILES |
C#CC(CC#CCO)NC
|
| InChIKey |
VNZSYGFLKDQUOV-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199721
Similarity: 0.7895
Similarity to MM199721
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81697
Similarity: 0.7579
Similarity to MM81697
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8623 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409154
Similarity: 0.7282
Similarity to MM409154
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8427 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+299 more
