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DocumentationIdentifier: MM79964
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79964 |
| SMILES |
COC(C#N)CC(=O)CO
|
| InChIKey |
KFMKDRUWMFVVDR-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44500
Similarity: 0.7874
Similarity to MM44500
| Tanimoto metric | 0.7874 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8811 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64903
Similarity: 0.7357
Similarity to MM64903
| Tanimoto metric | 0.7357 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8477 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142219
Similarity: 0.7244
Similarity to MM142219
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8402 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
