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DocumentationIdentifier: MM64986
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64986 |
| SMILES |
C#CC(C)NC(=O)COC
|
| InChIKey |
ADMXGOQDQKPGPZ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142472
Similarity: 0.823
Similarity to MM142472
| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.9029 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330808
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Similarity to MM330808
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8663 |
| Dice metric | 0.8651 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45961
Similarity: 0.7434
Similarity to MM45961
| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.8622 |
| Dice metric | 0.8528 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+443 more
