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DocumentationIdentifier: MM231354
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231354 |
| SMILES |
C=C(CCNC)C(C)(C)O
|
| InChIKey |
YICZASASFRRJKK-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132080
Similarity: 0.8167
Similarity to MM132080
| Tanimoto metric | 0.8167 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.8991 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83964
Similarity: 0.7417
Similarity to MM83964
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8612 |
| Dice metric | 0.8517 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91519
Similarity: 0.6433
Similarity to MM91519
| Tanimoto metric | 0.6433 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7829 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+498 more
