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DocumentationIdentifier: MM172283
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172283 |
| SMILES |
C#CC(N)C(O)CC=C
|
| InChIKey |
MRRHQTLKNFJRRN-UHFFFAOYSA-N
|
| MW [Da] |
125.17
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
MM352917
Similarity: 0.8306
Similarity to MM352917
| Tanimoto metric | 0.8306 |
|---|---|
| Cosine metric | 0.9114 |
| Dice metric | 0.9075 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376406
Similarity: 0.7305
Similarity to MM376406
| Tanimoto metric | 0.7305 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8443 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111621
Similarity: 0.7184
Similarity to MM111621
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8362 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+354 more
