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DocumentationIdentifier: MM321028
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM321028 |
| SMILES |
CNC(C)C=CC(N)CO
|
| InChIKey |
PTSZPAWZXSIDLW-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM343364
Similarity: 0.9082
Similarity to MM343364
| Tanimoto metric | 0.9082 |
|---|---|
| Cosine metric | 0.9522 |
| Dice metric | 0.9519 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74858
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Similarity to MM74858
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8481 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200520
Similarity: 0.7347
Similarity to MM200520
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.8471 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+548 more
