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DocumentationIdentifier: MM60989
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60989 |
| SMILES |
C=C(OCCO)C(C)(C)N
|
| InChIKey |
RTIMYZCMEDMFEY-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132110
Similarity: 0.8347
Similarity to MM132110
| Tanimoto metric | 0.8347 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9099 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231379
Similarity: 0.7372
Similarity to MM231379
| Tanimoto metric | 0.7372 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8487 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231422
Similarity: 0.7063
Similarity to MM231422
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8279 |
| Dice metric | 0.8279 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
