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DocumentationIdentifier: MM67735
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67735 |
| SMILES |
C#CC(=O)OCC(C)N
|
| InChIKey |
ZBUQLWIWRTXODD-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM251734
Similarity: 0.823
Similarity to MM251734
| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.9029 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317323
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Similarity to MM317323
| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.9029 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73726
Similarity: 0.8017
Similarity to MM73726
| Tanimoto metric | 0.8017 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.89 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+379 more
