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DocumentationIdentifier: MM224154
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224154 |
| SMILES |
CC(C)(C)CC(C#N)CO
|
| InChIKey |
UJLCOOODIIEOQK-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149732
Similarity: 0.8533
Similarity to MM149732
| Tanimoto metric | 0.8533 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326543
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Similarity to MM326543
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8709 |
| Dice metric | 0.8707 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM79721
Similarity: 0.7711
Similarity to MM79721
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8709 |
| Dice metric | 0.8707 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+416 more
