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DocumentationIdentifier: MM432217
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM432217 |
| SMILES |
CCC(C#N)C#CCC#N
|
| InChIKey |
MAPZJTLDOZHZNC-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201230
Similarity: 0.9167
Similarity to MM201230
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM431936
Similarity: 0.8947
Similarity to MM431936
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9444 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM344721
Similarity: 0.8947
Similarity to MM344721
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9444 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+508 more
