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DocumentationIdentifier: MM49313
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49313 |
| SMILES |
C=COCC(O)CN(C)C
|
| InChIKey |
SACVMYMPKFMNNB-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM355470
Similarity: 0.7383
Similarity to MM355470
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8495 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49314
Similarity: 0.7238
Similarity to MM49314
| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.8401 |
| Dice metric | 0.8398 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM278563
Similarity: 0.7117
Similarity to MM278563
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8318 |
| Dice metric | 0.8316 |
| MW: | 149.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
