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DocumentationIdentifier: MM103077
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103077 |
| SMILES |
CC(C)(C#N)CC#N
|
| InChIKey |
XLGGGDFEPZVRLJ-UHFFFAOYSA-N
|
| MW [Da] |
108.14
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 |
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MM42367
Similarity: 0.7692
Similarity to MM42367
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 119.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25690
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| Tanimoto metric | 0.75 |
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| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 97.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM228883
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Similarity to MM228883
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+144 more
