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DocumentationIdentifier: MM44003
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44003 |
| SMILES |
COC(C)CN(C)CC#N
|
| InChIKey |
BXMLISHXRYVZRI-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM266873
Similarity: 0.7692
Similarity to MM266873
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141609
Similarity: 0.7596
Similarity to MM141609
| Tanimoto metric | 0.7596 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8634 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM326078
Similarity: 0.7182
Similarity to MM326078
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.836 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
