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DocumentationIdentifier: MM73365
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73365 |
| SMILES |
C=CC(O)C(C)N
|
| InChIKey |
STWCGNZQQRMKAU-UHFFFAOYSA-N
|
| MW [Da] |
101.15
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75844
Similarity: 0.7397
Similarity to MM75844
| Tanimoto metric | 0.7397 |
|---|---|
| Cosine metric | 0.8601 |
| Dice metric | 0.8504 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73355
Similarity: 0.7397
Similarity to MM73355
| Tanimoto metric | 0.7397 |
|---|---|
| Cosine metric | 0.8601 |
| Dice metric | 0.8504 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58169
Similarity: 0.7297
Similarity to MM58169
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8438 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+685 more
