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DocumentationIdentifier: MM407095
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM407095 |
| SMILES |
N#CC(C#N)C(O)CCO
|
| InChIKey |
VOBFJHYSAFFTTM-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172074
Similarity: 0.8696
Similarity to MM172074
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53299
Similarity: 0.7826
Similarity to MM53299
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406690
Similarity: 0.7105
Similarity to MM406690
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8308 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
