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DocumentationIdentifier: MM247351
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247351 |
| SMILES |
COC(C)=CC(N)C(C)C
|
| InChIKey |
NOVDHRPEBJMOLU-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143322
Similarity: 0.8151
Similarity to MM143322
| Tanimoto metric | 0.8151 |
|---|---|
| Cosine metric | 0.9028 |
| Dice metric | 0.8981 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266437
Similarity: 0.6978
Similarity to MM266437
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.822 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266392
Similarity: 0.6929
Similarity to MM266392
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8186 |
| Dice metric | 0.8186 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+452 more
