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DocumentationIdentifier: MM43470
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43470 |
| SMILES |
C#CCN(CC)C(C)C#N
|
| InChIKey |
UASIAMVCBNRXRN-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42565
Similarity: 0.9059
Similarity to MM42565
| Tanimoto metric | 0.9059 |
|---|---|
| Cosine metric | 0.9518 |
| Dice metric | 0.9506 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72798
Similarity: 0.6964
Similarity to MM72798
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8256 |
| Dice metric | 0.8211 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88247
Similarity: 0.6489
Similarity to MM88247
| Tanimoto metric | 0.6489 |
|---|---|
| Cosine metric | 0.7908 |
| Dice metric | 0.7871 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+408 more
